Browsing by Author "Rahman, Md. Mominur"

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A Drug Design Strategy Based on Molecular Docking and Molecular Dynamics Simulations Applied to Development of Inhibitor Against Triple-Negative Breast Cancer by Scutellarein Derivatives
(PLOS, 2023-10-12) Akash, Shopnil; Aovi, Farjana Islam; Azad, Md. A. K.; Kumer, Ajoy; Chakma, Unesco; Islam, Md. Rezaul; Mukerjee, Nobendu; Rahman, Md. Mominur; Bayıl, Imren; Rashid, Summya; Sharma, Rohit
Triple-negative breast cancer (TNBC), accounting for 10–15% of all breast malignancies, is more prevalent in women under 40, particularly in those of African descent or carrying the BRCA1 mutation. TNBC is characterized by the absence of estrogen and progesterone receptors (ER, PR) and low or elevated HER2 expression. It represents a particularly aggressive form of breast cancer with limited therapeutic options and a poorer prognosis. In our study, we utilized the protein of TNBC collected from the Protein Data Bank (PDB) with the most stable configuration. We selected Scutellarein, a bioactive molecule renowned for its anti-cancer properties, and used its derivatives to design potential anti-cancer drugs employing computational tools. We applied and modified structural activity relationship methods to these derivatives and evaluated the probability of active (Pa) and inactive (Pi) outcomes using pass prediction scores. Furthermore, we employed in-silico approaches such as the assessment of absorption, distribution, metabolism, excretion, and toxicity (ADMET) parameters, and quantum calculations through density functional theory (DFT). Within the DFT calculations, we analyzed Frontier Molecular Orbitals, specifically the Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO). We then conducted molecular docking and dynamics against TNBC to ascertain binding affinity and stability. Our findings indicated that Scutellarein derivatives, specifically DM03 with a binding energy of -10.7 kcal/mol and DM04 with -11.0 kcal/mol, exhibited the maximum binding tendency against Human CK2 alpha kinase (PDB ID 7L1X). Molecular dynamic simulations were performed for 100 ns, and stability was assessed using root-mean-square deviation (RMSD) and root-mean-square fluctuation (RMSF) parameters, suggesting significant stability for our chosen compounds. Furthermore, these molecules met the pharmacokinetics requirements for potential therapeutic candidates, displaying non-carcinogenicity, minimal aquatic and non-aquatic toxicity, and greater aqueous solubility. Collectively, our computational data suggest that Scutellarein derivatives may serve as potential therapeutic agents for TNBC. However, further experimental investigations are needed to validate these findings.
A Review of Experimentation Numerical Simulation of Low-Velocity Impact Performances and Damages of Fiber-Reinforced Composites
(Scopus, 2024) Rahman, Md. Mominur; Ismail, Al Emran; Ramli, Muhammad Faiz; Rashid, Azrin Hani Abdul
Fiber-reinforced composites (FRCs) are extensively utilized in various industries due to their lightweight and high-strength properties, making the understanding of their response to low-velocity impact (LVI) crucial for ensuring structural integrity, performance and invisible internal damages that can compromise performance and safety. This paper critically examines the current state of research on the low-velocity impact behavior of FRCs, focusing on both experimental and numerical simulation approaches. The review comprehensively surveys on characterizing and modeling the response of FRCs to low-velocity impacts leading to damages. The effects of parameters including composites preparation; impact mechanics; testing methods; induced damages including assessment methods; different performance parameters including impact energy, force, load, impact resistance; post-impact damages and their resistance; performance and damage affecting different factors; numerical and simulation modeling are discussed. Current challenges and future prospects regarding the subject matter is highlighted. The comprehensive analysis presented in this review goals to consolidate current knowledge, identify research gaps, and guide future endeavors in enhancing the understanding of low-velocity impact (LVI) behavior in fiber-reinforced composites (FRCs).
An Overview of Antimicrobial Stewardship Optimization
(Daffodil International University, 2022-05-20) Rahman, Md. Mominur; Tumpa, Mst. Afroza Alam; Zehravi, Mehrukh; Sarker, Md. Taslim; Yamin, Md.; Islam, Md. Rezaul; Harun-Or-Rashid, Md.; Ahmed, Muniruddin; Ramproshad, Sarker; Mondal, Banani; Dey, Abhijit; Damiri, Fouad; Berrada, Mohammed; Rahman, Md. Habibur; Cavalu, Simona
Antimicrobial s are a type of agent widely used to prevent various microbial infections in humans and animals. Antimicrobial resistance is a major cause of clinical antimicrobial therapy failure, and it has become a major public health concern around the world. Increasing the development of multiple antimicrobial s has become available for humans and animals with no appropriate guidance. As a result, inappropriate use of antimicrobial s has significantly produced antimicrobial resistance. However, an increasing number of infections such as sepsis are untreatable due to this antimicrobial resistance. In either case, life-saving drugs are rendered ineffective in most cases. The actual causes of antimicrobial resistance are complex and versatile. A lack of adequate health services, um-optimized use of antimicrobial s in humans and animals, poor water and sanitation systems, wide gaps in access and research and development in healthcare technologies, and environmental pollution have vital impacts on antimicrobial resistance. This current review will highlight the natural history and basics of the development of antimicrobial s, the relationship between antimicrobial use in humans and antimicrobial use in animals, the simplistic pathways, and mechanisms of antimicrobial resistance, and how to control the spread of this resistance.
Analyzing the Public Sentiment on COVID-19 Vaccination in Social Media
(Daffodil International University, 22-05-16) Rahman, Md. Mominur; Islam, Md. Rezaul; Akash, Shopnil; -Or-Rashid, Md. Harun; Ray, Tanmay Kumar; Rahaman, Md. Saidur; Islam, Mahfuzul; Anika, Fazilatunnesa; Hosain, Md. Kawser; Aovi, Farjana Islam; Hemeg, Hassan A.; Rauf, Abdur; Wilairatana, Polrat
Nanoscale engineering is one of the innovative approaches to heal multitudes of ailments, such as varieties of malignancies, neurological problems, and infectious illnesses. Therapeutics for neurodegenerative diseases (NDs) may be modified in aspect because of their ability to stimulate physiological response while limiting negative consequences by interfacing and activating possible targets. Nanomaterials have been extensively studied and employed for cancerous therapeutic strategies since nanomaterials potentially play a significant role in medical transportation. When compared to conventional drug delivery, nanocarriers drug delivery offers various benefits, such as excellent reliability, bioactivity, improved penetration and retention impact, as well as precise targeting and administering. Upregulation of drug efflux transporters, dysfunctional apoptotic mechanisms, and a hypoxic atmosphere are all elements that lead to cancer treatment sensitivity in humans. It has been possible to target these pathways using nanoparticles and increase the effectiveness of multidrug resistance treatments. As innovative strategies of tumor chemoresistance are uncovered, nanomaterials are being developed to target specific pathways of tumor resilience. Scientists have recently begun investigating the function of nanoparticles in immunotherapy, a field that is becoming increasingly useful in the care of malignancies. Nanoscale therapeutics have been explored in this scientific literature and represent the most current approaches to neurodegenerative illnesses and cancer therapy. In addition, current findings and various biomedical nanomaterials' future promise for tissue regeneration, prospective medication design, and the synthesis of novel delivery approaches have been emphasized.
Anti-Viral Drug Discovery Against Monkeypox and Smallpox Infection by Natural Curcumin Derivatives
(Bentham Science Publishers Ltd., 2023-03-22) Akash, Shopnil; Hossain, Arafat; Hossain, Md. Sarowar; Rahman, Md. Mominur; Ahmed, Mohammad Z.; Ali, Nemat; Valis, Martin; Kuca, Kamil; Sharma, Rohit
"Background: In the last couple of years, viral infections have been leading the globe, considered one of the most widespread and extremely damaging health problems and one of the leading causes of mortality in the modern period. Although several viral infections are discovered, such as SARS CoV-2, Langya Henipavirus, there have only been a limited number of discoveries of possible antiviral drug, and vaccine that have even received authorization for the protection of human health. Recently, another virial infection is infecting worldwide (Monkeypox, and Smallpox), which concerns pharmacists, biochemists, doctors, and healthcare providers about another epidemic. Also, currently no specific treatment is available against Monkeypox. This research gap encouraged us to develop a new molecule to fight against monkeypox and smallpox disease. So, firstly, fifty different curcumin derivatives were collected from natural sources, which are available in the PubChem database, to determine antiviral capabilities against Monkeypox and Smallpox. Material and method: Preliminarily, the molecular docking experiment of fifty different curcumin derivatives were conducted, and the majority of the substances produced the expected binding affinities. Then, twelve curcumin derivatives were picked up for further analysis based on the maximum docking score. After that, the density functional theory (DFT) was used to determine chemical characterizations such as the highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), softness, and hardness, etc. Results: The mentioned derivatives demonstrated docking scores greater than 6.80 kcal/mol, and the most significant binding affinity was at -8.90 kcal/mol, even though 12 molecules had higher binding scores (-8.00 kcal/mol to -8.9 kcal/mol), and better than the standard medications. The molecular dynamic simulation is described by root mean square deviation (RMSD) and root-mean-square fluctuation (RMSF), demonstrating that all the compounds might be stable in the physiological system. Conclusion: In conclusion, each derivative of curcumin has outstanding absorption, distribution, metabolism, excretion, and toxicity (ADMET) characteristics. Hence, we recommended the aforementioned curcumin derivatives as potential antiviral agents for the treatment of Monkeypox and Smallpox virus, and more in vivo investigations are warranted to substantiate our findings."
Antibacterial, cytotoxic and antioxidant potential of methanolic extract of phyllanthus acidus L
(© 2010 IJDDR, 2011) Rahman, Md. Mominur; Habib, Md. Razibul; Hasan, S. M. Raquibul; Rana, Md Sohel
The objective of the present study was to evaluate antimicrobial, cytotoxic and antioxidant potential of methanol extract of fruit part of Phyllanthus acidus. Phytochemical screening showed evidence of glycoside, tannin and resin. Antimicrobial activity was evaluated using disc diffusion method against 13 pathogenic bacteria where in higher concentration the extract showed moderate to good zone of inhibition against B. megaterium and B. subtilis also with S. typhi and S. dysenteriae. In case of brine shrimp cytotoxicity assay, showed good result with LC50 value 4.46 μg/ml where as LC90 value was 70.79 μg/ml. Antioxidant activity was evaluated by using total flavonoid content determination assays, total antioxidant capacity, 1,1-diphenyl-2-picryl-hydrazil (DPPH) free radical assay, reducing power assessment, cupric ion reducing capacity assay (CUPRAC method). The extract showed moderate to good antioxidant activity in a dose dependent manner and found to contain flavonoid compounds. In DPPH radical scavenging assay IC50 value found 2063.42 μg/ml and compared to ascorbic acid with 52 μg/ml. The extract also showed good cupric ion reducing capacity. The results of the present study indicate that the extract possesses moderate to good antioxidant potential.
Applications of Phyto-Nanotechnology for the Treatment of Neurodegenerative Disorders
(Daffodil International University, 2022-02-20) Bhattacharya, Tanima; E Soares, Giselle Amanda Borges; Chopra, Hitesh; Rahman, Md. Mominur; Hasan, Ziaul; Swain, Shasank S.; Cavalu, Simona
The strategies involved in the development of therapeutics for neurodegenerative disorders are very complex and challenging due to the existence of the blood-brain barrier (BBB), a closely spaced network of blood vessels and endothelial cells that functions to prevent the entry of unwanted substances in the brain. The emergence and advancement of nanotechnology shows favourable prospects to overcome this phenomenon. Engineered nanoparticles conjugated with drug moieties and imaging agents that have dimensions between 1 and 100 nm could potentially be used to ensure enhanced efficacy, cellular uptake, specific transport, and delivery of specific molecules to the brain, owing to their modified physico-chemical features. The conjugates of nanoparticles and medicinal plants, or their components known as nano phytomedicine, have been gaining significance lately in the development of novel neuro-therapeutics owing to their natural abundance, promising targeted delivery to the brain, and lesser potential to show adverse effects. In the present review, the promising application, and recent trends of combined nanotechnology and phytomedicine for the treatment of neurological disorders (ND) as compared to conventional therapies, have been addressed. Nanotechnology-based efforts performed in bioinformatics for early diagnosis as well as futuristic precision medicine in ND have also been discussed in the context of computational approach.
Approximate Analytic Solutions of the Nonlinear Cubic Oscillator by Iterative Method
(Khulna University of Engineering & Technology (KUET), Khulna, Bangladesh, 2016-11) Rahman, Md. Mominur; Haque, Dr. B. M. Ikramul
A modified approximate analytic solution of the cubic nonlinear oscillator “ẍ + x3 = 0" has been obtained based on an iteration method. Here we have used the truncated Fourier series in each iterative step. The approximate frequencies obtained by this technique show a good agreement with the exact frequency. The percentage of error between exact frequency and our fifth approximate frequency is as low as 0.009%. The calculation with this technique is very easy. The modified technique accelerates the rapid convergence of the solution, reduces the error solution and increases the validity range.
Assessment of Phytochemical, Cytotoxic, Anthelmintic and Thrombolytic Activity of Mikania Micrantha Leaves a New Addition in Phytomedicine
(Pharmacology online, 2019-04-30) Raka, Sabreena Chowdhury; Mishu, Sadia Afrin; Rahman, Md. Mominur; Rahman, Arifur
The aim of the study was to find out the phytochemical evaluation, cytotoxic, anthelmintic & thrombolytic activity from the leaves of Mikania micrantha. Mikania micrantha (Asteraceae), commonly known as mile-a-minute weed is an extremely fast-growing, perennial creeping weed. To study for Phytochemical evaluation was determined through qualitative analysis. The cytotoxic activity was determined by using brine shrimp lethality bioassay. Anthelmintic activity by the study of paralysis and death time and was compared with albendazole as the reference standard, Thrombolytic activity by clot disruption. Phytochemical evaluation indicates the presence of chemical constituents including flavonoids, steroids, saponins & some amount of alkaloids & glycosides. In cytotoxicity assay, the LC50 values of the sample were (7.51) µl/ml where the LC50 values of the standard potassium dichromate were (124.13) µl/ml as a positive control. In the anthelmintic assay, there is no paralyzed and death worm through ethanol extract whereas standard albendazole showed paralyzed & dead worm. The extract shows (86.87) % for 200mg and (84.15) % for 100mg clot lytic whereas standard streptokinase shows (87.33) % for 30,000 I.U and (82.11) % for 15,000 I.U clot lytic activity in thrombolytic activity assay. This study shows that the ethanol extract of Mikania micrantha has some bioactivity but further compound isolation is necessary to confirm the activities of individual compounds.
Bioinorganic Nanoparticles for the Remediation of Environmental Pollution
(Hindawi Publications, 2023-04-10) Rahman, Md. Mominur; Ahmed, Limon; Anika, Fazilatunnesa; Riya, Anha Akter; Kali, Sumaiya Khatun; Rauf, Abdur; Sharma, Rohit
Nowadays, environmental pollution has become a critical issue for both developed and developing countries. Because of excessive industrialization, burning of fossil fuels, mining and exploration, extensive agricultural activities, and plastics, the environment is being contaminated rapidly through soil, air, and water. There are a variety of approaches for treating environmental toxins, but each has its own set of restrictions. As a result, various therapies are accessible, and approaches that are effective, long-lasting, less harmful, and have a superior outcome are extensively demanded. Modern research advances focus more on polymer-based nanoparticles, which are frequently used in drug design, drug delivery systems, environmental remediation, power storage, transformations, and other fields. Bioinorganic nanomaterials could be a better candidate to control contaminants in the environment. In this article, we focused on their synthesis, characterization, photocatalytic process, and contributions to environmental remediation against numerous ecological hazards. In this review article, we also tried to explore their recent advancements and futuristic contributions to control and prevent various pollutants in the environment.
Change of Weight in Pretreatment of Dyeing: A Study on 100% Cotton Knit Fabric
(Daffodil International University, 2020-01) Chowdhury, Tanvir Ahmed; Rahman, Md. Mominur; Hossain, Alamgir; Majumder, S.M. Mahbub Ul Haque
The study is to find out changes in weight of cotton knit fabrics in pretreatments of dyeing. Single jersey, single lacoste, 1x1 rib, 1x1 lycra rib, 2x2 rib & terry fabrics were used for this research and processed them in different pretreatments of dyeing. Standard recipes were followed with right chemicals were used in every stage. All the processes were conducted in a reputed industry and modern machines were used at every process. After values of weight changes at each stage were carefully measured maintaining same atmospheric condition. It was found that weight changing rate is different for the different knit structured fabric though same recipes and procedures were followed for all of the fabric samples in a particular stage. Finally, the reasons of variation in weight change were explained logically.
Changes of Dimensional Stabilities for Viscose, Polyester and Spandex Constituents: A Study on Knit Fabric Stage Versus Garments Stage
(23-01) Rahman, Md. Mominur; Shibly, Md. Hasanul Islam; Chowdhury, Tanvir Ahmed; Hossain, Md Kamrul; Hossain, Alamgir
Dimensional stability is one of the fundamental issues from customer point of view due to after use changes of length and width of garments hinder the proper use ability of garments. The paper is to investigate the change of dimensional stabilities and their association and difference with different selective synthetic fibres constituents. Fabrics and their adjacent garments samples are washed with detergent and the changes of length and width are measured in respect of previous dimensions. A sample of 50 repeated measures was conducted to measure the dimension change. Then the data was processed using software – Statistical Package for Social Science (SPSS) to determine the association and difference. It is revealed that there is significant association with viscose fibre composition and change of length after 1st and 3rd wash as well as change of width after 3rd wash at fabric stage. However, at garments stage, there is significant association with viscose fibre composition and change of length after 1st wash as well as with change of width at 3rd wash. 1st wash of fabric and garments significantly differ with its 3rd wash, however, there is no significant difference between fabric and garments after the same wash.
Corrigendum to “exploring the Nutritional and Health Benefits of Pulses from the Indian Himalayan Region: A Glimpse into the Region's Rich Agricultural Heritage” [Food Chem. 422 (2023) 136259] (Food Chemistry (2023) 422, (S0308814623008774), (10.1016/J.Foodchem.2023.136259))
(Elsevier, 2024-03-01) Semwal, Prabhakar; Painuli, Sakshi; Begum, J.P. Shabaaz; Jamloki, Abhishek; Rauf, Abdur; Olatunde, Ahmed; Rahman, Md. Mominur; Mukerjee, Nobendu; Khalil, Anees Ahmed; Aljohani, Abdullah S.M.; Abdulmonem, Waleed Al; Simal-Gand, Jesus
The authors regret the errors that appeared in their paper, “Exploring the nutritional and health benefits of pulses from the Indian Himalayan region: A glimpse into the region’s rich agricultural heritage.” The misrepresentation of data in our review was attributed to cross-reference papers, leading to poor citation due to errors already present in those sources (Venkidasamya et al. 2019; and Liu & Xu, 2016). Additionally, a few typographical errors occurred during the manuscript's revision process, which unfortunately went unnoticed during proofreading. This corrigendum is submitted seeking to address and rectify these issues appropriately.
Corrigendum: Anti-Viral Drug Discovery Against Monkeypox and Smallpox Infection by Natural Curcumin Derivatives
(Frontiers, 2023-03-22) Akash, Shopnil; Hossain, Arafat; Hossain, Md. Sarowar; Rahman, Md. Mominur; Ahmed, Mohammad Z.; Ali, Nemat; Valis, Martin; Kuca, Kamil; Sharma, Rohit
"Background: In the last couple of years, viral infections have been leading the globe, considered one of the most widespread and extremely damaging health problems and one of the leading causes of mortality in the modern period. Although several viral infections are discovered, such as SARS CoV-2, Langya Henipavirus, there have only been a limited number of discoveries of possible antiviral drug, and vaccine that have even received authorization for the protection of human health. Recently, another virial infection is infecting worldwide (Monkeypox, and Smallpox), which concerns pharmacists, biochemists, doctors, and healthcare providers about another epidemic. Also, currently no specific treatment is available against Monkeypox. This research gap encouraged us to develop a new molecule to fight against monkeypox and smallpox disease. So, firstly, fifty different curcumin derivatives were collected from natural sources, which are available in the PubChem database, to determine antiviral capabilities against Monkeypox and Smallpox. Material and method: Preliminarily, the molecular docking experiment of fifty different curcumin derivatives were conducted, and the majority of the substances produced the expected binding affinities. Then, twelve curcumin derivatives were picked up for further analysis based on the maximum docking score. After that, the density functional theory (DFT) was used to determine chemical characterizations such as the highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), softness, and hardness, etc. Results: The mentioned derivatives demonstrated docking scores greater than 6.80 kcal/mol, and the most significant binding affinity was at -8.90 kcal/mol, even though 12 molecules had higher binding scores (-8.00 kcal/mol to -8.9 kcal/mol), and better than the standard medications. The molecular dynamic simulation is described by root mean square deviation (RMSD) and root-mean-square fluctuation (RMSF), demonstrating that all the compounds might be stable in the physiological system. Conclusion: In conclusion, each derivative of curcumin has outstanding absorption, distribution, metabolism, excretion, and toxicity (ADMET) characteristics. Hence, we recommended the aforementioned curcumin derivatives as potential antiviral agents for the treatment of Monkeypox and Smallpox virus, and more in vivo investigations are warranted to substantiate our findings."
Determination of Different Antioxidant Compounds from the Mangrove Plants of Pandanus Foetidus and Avicennia Officinalis
(Pharmacology online, 2019) Aovi, Farjana Islam; Rahman, Md. Mominur
Recently, medicinal plants have grabbed attention worldwide in the field of neurosciences for therapeutic intervention. The aim of the study was to identify and measure the total phenolic content (TPC), total flavonoids content (TFC), tannin content (TPC) and total antioxidant capacity (TAC) of the 3 ethanolic extracts. Three ethanolic extracts from two mangrove plants were subjected to the investigation for identifying different antioxidant compounds. For the tests, we used the leaves and aerial root extract from Pandanus foetidus and leaves from Avicennia officinalis. These two are mangroves plants with the evidence of presence of prominent antioxidant properties. The highest phenolic and tannin content were measured about 269mg GAE/gm dry extract and about 212mg AAE/gm dry extract of P. foetidus leaves extract. Total flavonoid content was high in A. officinalis leaves extract which was about 176mg QE/gm dry extract. Aerial root extract of P. foetidus showed lower TPC, TFC and TTC in compare with other extracts. The highest TAC were identified about 212mg AAE/gm dry extract which actually support the highest TAC and TTC in P. foetidus leaves extract. The findings of this study indicate that the different antioxidant compounds in this study may be considered interesting candidates for future research.
Development of New Bioactive Molecules To Treat Breast and Lung Cancer with Natural Myricetin and Its Derivatives
(Daffodil International University, 22-09-27) Akash, Shopnil; Kumer, Ajoy; Rahman, Md. Mominur; Emran, Talha Bin; Sharma, Rohit; Singla, Rajeev K.; Alhumaydhi, Fahad A.; Khandaker, Mayeen Uddin; Park, Moon Nyeo; Idris, Abubakr M.; Wilairatana, Polrat; Kim, Bonglee
Each biopharmaceutical research and new drug development investigation is targeted at discovering novel and potent medications for managing specific ailments. Thus, to discover and develop new potent medications, it should be performed sequentially or step by step. This is because drug development is a lengthy and risky work that requires significant money, resources, and labor. Breast and lung cancer contributes to the death of millions of people throughout the world each year, according to the report of the World Health Organization, and has been a public threat worldwide, although the global medical sector is developed and updated day by day. However, no proper treatment has been found until now. Therefore, this research has been conducted to find a new bioactive molecule to treat breast and lung cancer-such as natural myricetin and its derivatives-by using the latest and most authentic computer-aided drug-design approaches. At the beginning of this study, the biological pass prediction spectrum was calculated to select the target protein. It is noted that the probability of active (Pa) score is better in the antineoplastic (Pa: 0.788-0.938) in comparison with antiviral (Pa: 0.236-0.343), antibacterial (Pa: 0.274-0.421), and antifungal (Pa: 0.226-0.508). Thus, cancerous proteins, such as in breast and lung cancer, were picked up, and the computational investigation was continued. Furthermore, the docking score was found to be -7.3 to -10.4 kcal/mol for breast cancer (standard epirubicin hydrochloride, -8.3 kcal/mol), whereas for lung cancer, the score was -8.2 to -9.6 kcal/mol (standard carboplatin, -5.5 kcal/mol). The docking score is the primary concern, revealing that myricetin derivatives have better docking scores than standard chemotherapeutic agents epirubicin hydrochloride and carboplatin. Finally, drug-likeness, ADME, and toxicity prediction were fulfilled in this investigation, and it is noted that all the derivatives were highly soluble in a water medium, whereas they were totally free from AMES toxicity, hepatotoxicity, and skin sensitization, excluding only ligands 1 and 7. Thus, we proposed that the natural myricetin derivatives could be a better inhibitor for treating breast and lung cancer.
Emerging Management Approach for the Adverse Events of Immunotherapy of Cancer
(Daffodil International University, 2022-06-20) Rahman, Md. Mominur; Behl, Tapan; Islam, Md. Rezaul; Alam, Md. Noor; Islam, Md. Mohaimenul; Albarrati, Ali; Albratty, Mohammed; Meraya, Abdulkarim M.; Bungau, Simona Gabriela
Immunotherapy, which stimulates the body’s immune system, has received a considerable amount of press in recent years because of its powerful benefits. Cancer immunotherapy has shown long-term results in patients with advanced disease that are not seen with traditional chemotherapy. Immune checkpoint inhibitors, cytokines like interleukin 2 (IL-2) and interferon-alpha (IFN), and the cancer vaccine sipuleucel-T have all been licensed and approved by the FDA for the treatment of various cancers. These immunotherapy treatments boost anticancer responses by stimulating the immune system. As a result, they have the potential to cause serious, even fatal, inflammatory and immune-related side effects in one or more organs. Immune checkpoint inhibitors (ICPIs) and chimeric antigen receptor (CAR) T-cell therapy are two immunotherapy treatments that are increasingly being used to treat cancer. Following their widespread usage in the clinic, a wave of immune-related adverse events (irAEs) impacting virtually every system has raised concerns about their unpredictability and randomness. Despite the fact that the majority of adverse effects are minimal and should be addressed with prudence, the risk of life-threatening complications exists. Although most adverse events are small and should be treated with caution, the risk of life-threatening toxicities should not be underestimated, especially given the subtle and unusual indications that make early detection even more difficult. Treatment for these issues is difficult and necessitates a multidisciplinary approach involving not only oncologists but also other internal medicine doctors to guarantee quick diagnosis and treatment. This study’s purpose is to give a fundamental overview of immunotherapy and cancer-related side effect management strategies.
Emerging Promise of Computational Techniques in Anti-Cancer Research
(Daffodil International University, 2022-07-25) Rahman, Md. Mominur; Islam, Md. Rezaul; Rahman, Firoza; Rahaman, Md. Saidur; Khan, Md. Shajib; Abrar, Sayedul; Ray, Tanmay Kumar; Uddin, Mohammad Borhan; Kali, Most. Sumaiya Khatun; Dua, Kamal; Kamal, Mohammad Amjad; Chellappan, Dinesh Kumar
Research on the immune system and cancer has led to the development of new medicines that enable the former to attack cancer cells. Drugs that specifically target and destroy cancer cells are on the horizon; there are also drugs that use specific signals to stop cancer cells multiplying. Machine learning algorithms can significantly support and increase the rate of research on complicated diseases to help find new remedies. One area of medical study that could greatly benefit from machine learning algorithms is the exploration of cancer genomes and the discovery of the best treatment protocols for different subtypes of the disease. However, developing a new drug is time-consuming, complicated, dangerous, and costly. Traditional drug production can take up to 15 years, costing over USD 1 billion. Therefore, computer-aided drug design (CADD) has emerged as a powerful and promising technology to develop quicker, cheaper, and more efficient designs. Many new technologies and methods have been introduced to enhance drug development productivity and analytical methodologies, and they have become a crucial part of many drug discovery programs; many scanning programs, for example, use ligand screening and structural virtual screening techniques from hit detection to optimization. In this review, we examined various types of computational methods focusing on anticancer drugs. Machine-based learning in basic and translational cancer research that could reach new levels of personalized medicine marked by speedy and advanced data analysis is still beyond reach. Ending cancer as we know it means ensuring that every patient has access to safe and effective therapies. Recent developments in computational drug discovery technologies have had a large and remarkable impact on the design of anticancer drugs and have also yielded useful insights into the field of cancer therapy. With an emphasis on anticancer medications, we covered the various components of computer-aided drug development in this paper. Transcriptomics, toxicogenomics, functional genomics, and biological networks are only a few examples of the bioinformatics techniques used to forecast anticancer medications and treatment combinations based on multi-omics data. We believe that a general review of the databases that are now available and the computational techniques used today will be beneficial for the creation of new cancer treatment approaches.
Emerging Promise of Nanoparticle-based Treatment for Parkinson’s Disease
(Biointerface Research in Applied Chemistry, 2020-05-20) Rahman, Md. Mominur; Ferdous, Kazi Sayma; Ahmed, Muniruddin
Neurodegenerative disorders are consequences of the deterioration of cells and tissues with a mature undesirable way of life. The degenerative disease like Parkinson's disease (PD) influences Central nervous systems (CNS) and cardiovascular systems. In this study, we show Parkinson's disease combined with rising nanoparticles, draw hopeful methodologies for improving medication transport to the scattered CNS, and examine their suggestions for clinical practice. A search strategy was designed in order to identify articles published in the high ranking journals. All the search results from the prominent databases, namely Scopus, Springer, PubMed, Cochrane, and ScienceDirect, were collected, and all possible duplicates were discarded. The worse condition must be overcome by traditional treatment systems. Nanotechnology and nanoparticles based methodology medical transport systems could reverse the treatment of Parkinson's disease. Dopamine consumption in the striatum is the sign of PD and its creation forms. Still, the pathophysiology of the parkinsonian side effects and especially parkinsonian trembles are under discussion. Parkinson's disease alarms genuine anxiety because of its consequences for the personal satisfaction of patients and its burden to social prescriptions and treatments that have risen for the management.
Emerging Role of Neuron-Glia in Neurological Disorders
(Daffodil International University, 2022-08-22) Rahman, Md. Mominur; Islam, Md. Rezaul; Yamin, Md.; Islam, Md. Mohaimenul; Sarker, Md. Taslim; Meem, Atkia Farzana Khan; Akter, Aklima; Emran, Talha Bin; Cavalu, Simona; Sharma, Rohit
Based on the diverse physiological influence, the impact of glial cells has become much more evident on neurological illnesses, resulting in the origins of many diseases appearing to be more convoluted than previously happened. Since neurological disorders are often random and unknown, hence the construction of animal models is difficult to build, representing a small fraction of people with a gene mutation. As a result, an immediate necessity is grown to work within in vitro techniques for examining these illnesses. As the scientific community recognizes cell-autonomous contributions to a variety of central nervous system illnesses, therapeutic techniques involving stem cells for treating neurological diseases are gaining traction. The use of stem cells derived from a variety of sources is increasingly being used to replace both neuronal and glial tissue. The brain's energy demands necessitate the reliance of neurons on glial cells in order for it to function properly. Furthermore, glial cells have diverse functions in terms of regulating their own metabolic activities, as well as collaborating with neurons via secreted signaling or guidance molecules, forming a complex network of neuron-glial connections in health and sickness. Emerging data reveals that metabolic changes in glial cells can cause morphological and functional changes in conjunction with neuronal dysfunction under disease situations, highlighting the importance of neuron-glia interactions in the pathophysiology of neurological illnesses. In this context, it is required to improve our understanding of disease mechanisms and create potential novel therapeutics. According to research, synaptic malfunction is one of the features of various mental diseases, and glial cells are acting as key ingredients not only in synapse formation, growth, and plasticity but also in neuroinflammation and synaptic homeostasis which creates critical physiological capacity in the focused sensory system. The goal of this review article is to elaborate state-of-the-art information on a few glial cell types situated in the central nervous system (CNS) and highlight their role in the onset and progression of neurological disorders.