Browsing by Author "Khan, Sharuk L."

Now showing 1 - 20 of 20

A rapid and large volume synthesis of mono-, di-, tri-, and tetra-substituted imidazole derivatives via ultrasonic radiation-driven technique
(Scopus, 2024-01-12) Shaikh, Mohd Sayeed; Kale, Mayura A.; Zehravi, Mehrukh; Unnisa, Aziz; Haque, M. Akiful; Kumar, Kusuma Praveen; Khan, Sharuk L.; Siddiqui, Syed Sarfaraz Ali Falak A.; Khandaker, Mayeen Uddin
Sonochemistry under controlled conditions has proven effective in medicinal chemistry and drug development. It can substantially shorten reaction timelines from days or hours to minutes. A convenient one-pot synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazole derivatives catalyzed by PTSA and benzenesulfonic acid in ethanol as solvent, under ultrasonic irradiation and without ultrasound irradiation at 50° C has been achieved successfully. These 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazole derivatives synthesis were also accomplished using different solvents viz., Methanol, Ethanol, DCM, DMF, Acetonitrile and THF and PTSA as the catalyst. This method yielded the highest % synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazole derivatives with PTSA as the catalyst in solvent ethanol. These reactions were also optimized for % of PTSA catalyst required to obtain the maximum yield of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazole derivatives with and without ultrasound irradiation at 50° C. Synthesis of 2,4,5-trisubstituted Imidazole derivatives reaction follows first-order rate kinetics while that of 1,2,4,5-tetrasubstituted Imidazole derivatives reaction follows the second-order rate kinetics. Furthermore, sonochemistry has higher yields, lower cost, easier workups, and higher purity than conventional thermal organic synthesis, which has lower yields, tedious workups, longer reaction periods, lower purity, and numerous byproducts.
A Rapid and Large Volume Synthesis of Mono-, Di-, Tri-, and Tetra-Substituted Imidazole Derivatives via Ultrasonic Radiation-Driven Technique
(Taylor & Francis Group, 2024-01-12) Shaikh, Mohd Sayeed; Kale, Mayura A.; Zehravi, Mehrukh; Unnisa, Aziz; Haque, M. Akiful; Kumar, Kusuma Praveen; Khan, Sharuk L.; Ali, Syed Sarfaraz; Siddiqui, Falak A.; Emran, Talha Bin; Elrahim, Elrashed Abd; Khandaker, Mayeen Uddin
Sonochemistry under controlled conditions has proven effective in medicinal chemistry and drug development. It can substantially shorten reaction timelines from days or hours to minutes. A convenient one-pot synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazole derivatives catalyzed by PTSA and benzenesulfonic acid in ethanol as solvent, under ultrasonic irradiation and without ultrasound irradiation at 50° C has been achieved successfully. These 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazole derivatives synthesis were also accomplished using different solvents viz., Methanol, Ethanol, DCM, DMF, Acetonitrile and THF and PTSA as the catalyst. This method yielded the highest % synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazole derivatives with PTSA as the catalyst in solvent ethanol. These reactions were also optimized for % of PTSA catalyst required to obtain the maximum yield of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazole derivatives with and without ultrasound irradiation at 50° C. Synthesis of 2,4,5-trisubstituted Imidazole derivatives reaction follows first-order rate kinetics while that of 1,2,4,5-tetrasubstituted Imidazole derivatives reaction follows the second-order rate kinetics. Furthermore, sonochemistry has higher yields, lower cost, easier workups, and higher purity than conventional thermal organic synthesis, which has lower yields, tedious workups, longer reaction periods, lower purity, and numerous byproducts.
An Overview of Diabetic Foot Ulcers and Associated Problems with Special Emphasis on Treatments with Antimicrobials
(Daffodil International University, 2022-07-14) Baig, Mirza Shahed; Banu, Ahmadi; Zehravi, Mehrukh; Rana, Ritesh; Burle, Sushil S.; Khan, Sharuk L.; Islam, Fahadul; Siddiqui, Falak A.; Massoud, Ehab El Sayed; Rahman, Md. Habibur; Cavalu, Simona
One of the most significant challenges of diabetes health care is diabetic foot ulcers (DFU). DFUs are more challenging to cure, and this is particularly true for people who already have a compromised immune system. Pathogenic bacteria and fungi are becoming more resistant to antibiotics, so they may be unable to fight microbial infections at the wound site with the antibiotics we have now. This article discusses the dressings, topical antibacterial treatment, medications and debridement techniques used for DFU and provides a deep discussion of DFU and its associated problems. English-language publications on DFU were gathered from many different databases, such as Scopus, Web of Science, Science Direct, Springer Nature, and Google Scholar. For the treatment of DFU, a multidisciplinary approach involving the use of diagnostic equipment, skills, and experience is required. Preventing amputations starts with patient education and the implementation of new categorization systems. The microbiota involved in DFU can be better understood using novel diagnostic techniques, such as the 16S-ribosomal DNA sequence in bacteria. This could be achieved by using new biological and molecular treatments that have been shown to help prevent infections, to control local inflammation, and to improve the healing process.
An Overview of Polymer Surface Coated Synthetic Quantum Dots As Therapeutics and Sensors Applications
(Elsevier, 2023-11-15) Babu, Ancha Kishore; Raja, M. K. Mohan Maruga; Zehravi, Mehrukh; Mohammad, Badrud Duza; Anees, Mohammed Imran; Prasad, Cheepurupalli; Yahya, Barrawaz Aateka; Sultana, Rokeya; Sharma, Rohit; Singh, Jay; Khan, Khalid Ali; Siddiqui, Falak A.; Khan, Sharuk L.; Emran, Talha Bin
Quantum dots (QDs) are a class of remarkable materials that have garnered significant attention since their initial discovery. It is noteworthy to mention that it took approximately a decade for these materials to be successfully implemented in practical applications. While QDs have demonstrated notable optical properties, it is important to note that these attributes alone have not rendered them a feasible substitute for traditional organic dyes. Furthermore, it is worth noting that the substance under investigation exhibited inherent toxicity and instability in its initial state, primarily due to the presence of a heavy metal core. In the initial stages of research, it was observed that the integration of nanocomposites had a positive impact on the properties of QDs. The discovery of these nanocomposites was motivated by the remarkable properties exhibited by biocomposites found in nature. Recent discoveries have shed light on the potential utilization of QDs as a viable strategy for drug delivery, offering a promising avenue to enhance the efficacy of current pharmaceuticals and pave the way for the creation of innovative therapeutic approaches. The primary objective of this review was to elucidate the distinctive characteristics that render QDs highly suitable for utilization as nanocarriers. In this study, we will delve into the multifaceted applications of QDs as sensing nanoprobes and their utilization in diverse drug delivery systems. The focus of our investigation was directed toward the utilization of QD/polymer composites in sensing applications, with particular emphasis on their potential as chemical sensors, biosensors, and physical sensors.
Carbon Quantum Dots- Based Magnetic Nanoparticles for Bioimaging
(CRC Press, 2023-06-05) Khan, Sharuk L.; Siddiqui, Falak A.; Usman, Md. Rageeb Md; Palghadmal, Prashant Subhash; Patil, Nilesh S.; Talwan, Poonam; Sultana, Rokeya; Islam, Fahadul
Two key candidate systems that have recently emerged as prospective probes for use in bioimaging applications are fluorescent quantum dots and magnetic nanoparticles, respectively. In this discussion, the discovery of silica-coated synthetic probes, both optical and magnetic, for use in bioimaging techniques is the primary emphasis. These probes developed primarily in the laboratory. In addition to this, the recent advancements that have been made in the production of rare earth nanomaterials for diagnostic imaging are outlined.
Carotenoids: Role in Neurodegenerative Diseases Remediation
(MDPI Publications, 2023-03-08) Gandla, Kumaraswamy; Babu, Ancha Kishore; Unnisa, Aziz; Sharma, Indu; Singh, Laliteshwar Pratap; Haque, Mahammad Akiful; Dashputre, Neelam Laxman; Baig, Shahajan; Siddiqui, Falak A.; Khandaker, Mayeen Uddin; Almujally, Abdullah; Tamam, Nissren; Sulieman, Abdelmoneim; Khan, Sharuk L.; Emran, Talha Bin
Numerous factors can contribute to the development of neurodegenerative disorders (NDs), such as Alzheimer’s disease, Parkinson’s disease, amyotrophic lateral sclerosis, Huntington’s disease, and multiple sclerosis. Oxidative stress (OS), a fairly common ND symptom, can be caused by more reactive oxygen species being made. In addition, the pathological state of NDs, which includes a high number of protein aggregates, could make chronic inflammation worse by activating microglia. Carotenoids, often known as “CTs”, are pigments that exist naturally and play a vital role in the prevention of several brain illnesses. CTs are organic pigments with major significance in ND prevention. More than 600 CTs have been discovered in nature, and they may be found in a wide variety of creatures. Different forms of CTs are responsible for the red, yellow, and orange pigments seen in many animals and plants. Because of their unique structure, CTs exhibit a wide range of bioactive effects, such as anti-inflammatory and antioxidant effects. The preventive effects of CTs have led researchers to find a strong correlation between CT levels in the body and the avoidance and treatment of several ailments, including NDs. To further understand the connection between OS, neuroinflammation, and NDs, a literature review has been compiled. In addition, we have focused on the anti-inflammatory and antioxidant properties of CTs for the treatment and management of NDs.
Coumarin-Based Sulfonamide Derivatives As Potential DPP-IV Inhibitors
(MDPI Publications, 2023-01-19) Vawhal, Pallavi Kishor; Jadhav, Shailaja B.; Kaushik, Sumit; Panigrahi, Kahnu Charan; Nayak, Chandan; Urmee, Humaira; Khan, Sharuk L.; Siddiqui, Falak A.; Islam, Fahadul; Eftekhari, Aziz; Alzahrani, Abdullah R.; Azlina, Mohd Fahami Nur; Sarker, Md. Moklesur Rahman; Ibrahim, Ibrahim Abdel Aziz
Recent research on dipeptidyl peptidase-IV (DPP-IV) inhibitors has made it feasible to treat type 2 diabetes mellitus (T2DM) with minimal side effects. Therefore, in the present investigation, we aimed to discover and develop some coumarin-based sulphonamides as potential DPP-IV inhibitors in light of the fact that molecular hybridization of many bioactive pharmacophores frequently results in synergistic activity. Each of the proposed derivatives was subjected to an in silico virtual screening, and those that met all of the criteria and had a higher binding affinity with the DPP-IV enzyme were then subjected to wet lab synthesis, followed by an in vitro biological evaluation. The results of the pre-ADME and pre-tox predictions indicated that compounds 6e, 6f, 6h, and 6m to 6q were inferior and violated the most drug-like criteria. It was observed that 6a, 6b, 6c, 6d, 6i, 6j, 6r, 6s, and 6t displayed less binding free energy (PDB ID: 5Y7H) than the reference inhibitor and demonstrated drug-likeness properties, hence being selected for wet lab synthesis and the structures being confirmed by spectral analysis. In the in vitro enzyme assay, the standard drug Sitagliptin had an IC50 of 0.018 µM in the experiment which is the most potent. All the tested compounds also displayed significant inhibition of the DPP-IV enzyme, but 6i and 6j demonstrated 10.98 and 10.14 µM IC50 values, respectively, i.e., the most potent among the synthesized compounds. Based on our findings, we concluded that coumarin-based sulphonamide derivatives have significant DPP-IV binding ability and exhibit optimal enzyme inhibition in an in vitro enzyme assay.
Exploring the Role of Natural Bioactive Molecules in Genitourinary Cancers
(Springer, 2023-10-16) Islam, Fahadul; Nath, Nikhil; Zehravi, Mehrukh; Khan, Jishan; Jashim, Sumiya Ben‑Ta; Charde, Manoj Shrawan; Chakole, Rita Dadarao; Kumar, Praveen; Babu, A. Kishore; Nainu, Firzan; Khan, Sharuk L.; Rab, Safia Obaidur; Emran, Talha Bin; Wilairatana, Polrat
The primary approaches to treat cancerous diseases include drug treatment, surgical procedures, biotherapy, and radiation therapy. Chemotherapy has been the primary treatment for cancer for a long time, but its main drawback is that it kills cancerous cells along with healthy ones, leading to deadly adverse health effects. However, genitourinary cancer has become a concern in recent years as it is more common in middle-aged people. So, researchers are trying to find possible therapeutic options from natural small molecules due to the many drawbacks associated with chemotherapy and other radiation-based therapies. Plenty of research was conducted regarding genitourinary cancer to determine the promising role of natural small molecules. So, this review focused on natural small molecules along with their potential therapeutic targets in the case of genitourinary cancers such as prostate cancer, renal cancer, bladder cancer, testicular cancer, and so on. Also, this review states some ongoing or completed clinical evidence in this regard.
Fighting Antibiotic Resistance: New Pyrimidine-Clubbed Benzimidazole Derivatives as Potential DHFR Inhibitors
(MDPI Publications, 2023-01-04) Haque, M. Akiful; Marathakam, Akash; Rana, Ritesh; Almehmadi, Samar J.; Tambe, Vishal B.; Charde, Manoj S.; Islam, Fahadul; Siddiqui, Falak A.; Culletta, Giulia; Almerico, Anna Maria; Tutone, Marco; Khan, Sharuk L.
The present work describes the design and development of seventeen pyrimidine-clubbed benzimidazole derivatives as potential dihydrofolate reductase (DHFR) inhibitors. These compounds were filtered by using ADMET, drug-likeness characteristics calculations, and molecular docking experiments. Compounds 27, 29, 30, 33, 37, 38, and 41 were chosen for the synthesis based on the results of the in silico screening. Each of the synthesized compounds was tested for its in vitro antibacterial and antifungal activities using a variety of strains. All the compounds showed antibacterial properties against Gram-positive bacteria (Staphylococcus aureus and Staphylococcus pyogenes) as well as Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa). Most of the compounds either had a higher potency than chloramphenicol or an equivalent potency to ciprofloxacin. Compounds 29 and 33 were effective against all the bacterial and fungal strains. Finally, the 1,2,3,4-tetrahydropyrimidine-2-thiol derivatives with a 6-chloro-2-(chloromethyl)-1H-benzo[d]imidazole moiety are potent enough to be considered a promising lead for the discovery of an effective antibacterial agent.
Flavonoids as Potential Therapeutics Against Neurodegenerative Disorders
(Springer Nature, 2024-08-15) Faysal, Md.; Dehbia, Zerrouki; Zehravi, Mehrukh; Sweilam, Sherouk Hussein; Haque, M. Akiful; Kumar, Kusuma Praveen; Chakole, Rita D.; Shelke, Satish P.; Sirikonda, Swapna; Nafady, Mohamed H.; Khan, Sharuk L.; Nainu, Firzan; Ahmad, Irfan; Emran, Talha Bin
Neurodegeneration, the decline of nerve cells in the brain, is a common feature of neurodegenerative disorders (NDDs). Oxidative stress, a key factor in NDDs such as Alzheimer’s disease, Parkinson’s disease, amyotrophic lateral sclerosis, and Huntington’s disease can lead to neuronal cell death, mitochondria impairment, excitotoxicity, and Ca2+ stress. Environmental factors compromising stress response lead to cell damage, necessitating novel therapeutics for preventing or treating brain disorders in older individuals and an aging population. Synthetic medications offer symptomatic benefits but can have adverse effects. This research explores the potential of flavonoids derived from plants in treating NDDs. Flavonoids compounds, have been studied for their potential to enter the brain and treat NDDs. These compounds have diverse biological effects and are currently being explored for their potential in the treatment of central nervous system disorders. Flavonoids have various beneficial effects, including antiviral, anti-allergic, antiplatelet, anti-inflammatory, anti-tumor, anti-apoptotic, and antioxidant properties. Their potential to alleviate symptoms of NDDs is significant.
Genus Amorphophallus: A Comprehensive Overview on Phytochemistry, Ethnomedicinal Uses, and Pharmacological Activities
(MDPI Publications, 2023-11-23) Islam, Fahadul; Labib, Rafiuddin Khan; Zehravi, Mehrukh; Lami, Mashia Subha; Das, Rajib; Singh, Laliteshwar Pratap; Mandhadi, Jithendar Reddy; Balan, P.; Khan, Jishan; Khan, Sharuk L.; Nainu, Firzan; Nafady, Mohamed H.; Rab, Safia Obaidur; Emran, Talha Bin; Wilairatana, Polrat
The genus Amorphophallus belongs to the family Araceae. Plants belonging to this genus are available worldwide and have been used in traditional medicines since ancient times, mainly in Ayurveda and Unani medical practices. Amorphophallus species are an abundant source of polyphenolic compounds; these are accountable for their pharmacological properties, such as their analgesic, neuroprotective, hepatoprotective, anti-inflammatory, anticonvulsant, antibacterial, antioxidant, anticancer, antiobesity, and immunomodulatory effects, as well as their ability to prevent gastrointestinal disturbance and reduce blood glucose. Moreover, Amorphophallus species contain numerous other classes of chemical compounds, such as alkaloids, steroids, fats and fixed oils, tannins, proteins, and carbohydrates, each of which contributes to the pharmacological effects for the treatment of acute rheumatism, tumors, lung swelling, asthma, vomiting, abdominal pain, and so on. Additionally, Amorphophallus species have been employed in numerous herbal formulations and pharmaceutical applications. There has been no extensive review conducted on the Amorphophallus genus as of yet, despite the fact that several experimental studies are being published regularly discussing these plants' pharmacological properties. So, this review discusses in detail the pharmacological properties of Amorphophallus species. We also discuss phytochemical constituents in the Amorphophallus species and their ethnomedicinal uses and toxicological profiles.
Natural Polymers As Potential P-Glycoprotein Inhibitors: Pre-ADMET Profile and Computational Analysis as a Proof of Concept To Fight Multidrug Resistance in Cancer
(Elsevier, 2023-08-24) Gandla, Kumaraswamy; Islam, Fahadul; Zehravi, Mehrukh; Karunakaran, Anandakumar; Sharma, Indu; Haque, Akiful; Kumar, Sanjay; Pratyush, Kumar; Dhawale, Sachin A.; Nainu, Firzan; Khan, Sharuk L.; Islam, Md. Rezaul; Al-Mugren, Kholoud Saad; Siddiqui, Falak A.; Emran, Talha Bin; Khandaker, Mayeen Uddin
P-glycoprotein (P-gp) is known as the "multidrug resistance protein" because it contributes to tumor resistance to several different classes of anticancer drugs. The effectiveness of such polymers in treating cancer and delivering drugs has been shown in a wide range of in vitro and in vivo experiments. The primary objective of the present study was to investigate the inhibitory effects of several naturally occurring polymers on P-gp efflux, as it is known that P-gp inhibition can impede the elimination of medications. The objective of our study is to identify polymers that possess the potential to inhibit P-gp, a protein involved in drug resistance, with the aim of enhancing the effectiveness of anticancer drug formulations. The ADMET profile of all the selected polymers (Agarose, Alginate, Carrageenan, Cyclodextrin, Dextran, Hyaluronic acid, and Polysialic acid) has been studied, and binding affinities were investigated through a computational approach using the recently released crystal structure of P-gp with PDB ID: 7O9W. The advanced computational study was also done with the help of molecular dynamics simulation. The aim of the present study is to overcome MDR resulting from the activity of P-gp by using such polymers that can inhibit P-gp when used in formulations. The docking scores of native ligand, Agarose, Alginate, Carrageenan, Chitosan, Cyclodextrin, Dextran, Hyaluronic acid, and Polysialic acid were found to be −10.7, −8.5, −6.6, −8.7, −8.6, −24.5, −6.7, −8.3, and −7.9, respectively. It was observed that, Cyclodextrin possess multiple properties in drug delivery science and here also demonstrated excellent binding affinity. We propose that drug efflux-related MDR may be prevented by the use of Agarose, Carregeenan, Chitosan, Cyclodextrin, Hyaluronic acid, and/or Polysialic acid in the administration of anticancer drugs.
Neuropharmacological Potential of Honokiol and Its Derivatives From Chinese Herb Magnolia Species: Understandings From Therapeutic Viewpoint
(PubMed Central Press, 2023-11-24) Faysal, Md.; Khan, Jishan; Zehravi, Mehrukh; Nath, Nikhil; Singh, Laliteshwar Pratap; Kakkar, Saloni; Perusomula, Rajashekar; Khan, Pathan Amanulla; Nainu, Firzan; Asiri, Mohammed; Khan, Sharuk L.; Das, Rajib; Emran, Talha Bin; Wilairatana, Polrat
Honokiol is a neolignan biphenol found in aerial parts of the Magnolia plant species. The Magnolia plant species traditionally belong to China and have been used for centuries to treat many pathological conditions. Honokiol mitigates the severity of several pathological conditions and has the potential to work as an anti-inflammatory, anti-angiogenic, anticancer, antioxidant, and neurotherapeutic agent. It has a long history of being employed in the healthcare practices of Southeast Asia, but in recent years, a greater scope of research has been conducted on it. Plenty of experimental evidence suggests it could be beneficial as a neuroprotective bioactive molecule. Honokiol has several pharmacological effects, leading to its exploration as a potential therapy for neurological diseases (NDs), including Alzheimer's disease (AD), Parkinson's disease (PD), cerebral ischemia, anxiety, depression, spinal cord injury, and so on. So, based on the previous experimentation reports, our goal is to discuss the neuroprotective properties of honokiol. Besides, honokiol derivatives have been highlighted recently as possible therapeutic options for NDs. So, this review focuses on honokiol's neurotherapeutic actions and toxicological profile to determine their safety and potential use in neurotherapeutics.
Pharmacogenomics of Immunosuppressants
(Elsevier, 2023-01-15) Islam, Fahadul; Islam, Md. Rezaul; Nafady, Mohamed H.; Faysal, Md.; Khan, Sharuk L.; Zehravi, Mehrukh; Emran, Talha Bin; Rahman, Md. Habibur
In recent years, pharmacogenetics has become a powerful technique for selecting the appropriate immunosuppressant medicine and dose. Pharmacogenetics can have three different effects on immunosuppressive medication. The study of the genes that code for the drug pharmacokinetic proteins and drug breakdown enzymes is known as pharmacogenetics. The study of genetic variants that code for proteins that act as pharmacodynamic immunosuppressant trigger pathways is known as pharmacogenetics. Immunosuppressants, such as calcineurin inhibitors (e.g., cyclosporine A and tacrolimus) and antimetabolic medicines, must be used wisely for patients to survive long-term after solid organ transplantation (e.g., mycophenolic acid). Therapeutic drug monitoring and personalized therapy require the limited therapeutic index of many drugs and vital interindividual and individual variability in pharmacokinetics (PK) and pharmacodynamics (PD). Genetic polymorphisms along with immunosuppressant PD have received more attention in recent years. Monitoring these pharmacogenetic indicators gives us an excellent tool for developing personalized immunosuppressant dose regimens. The findings of the studies on the prospective genes mentioned above and the improvement of omics methodologies may one day permit us to choose the suitable immunosuppressant for the particular client at the appropriate dose.
Polyphenols in Wound Healing: Unlocking Prospects with Clinical Applications
(Springer Nature, 2024-10-15) Utpal, Biswajit Kumar; Sutradhar, Baishakhi; Zehravi, Mehrukh; Sweilam, Sherouk Hussein; Panigrahy, Uttam Prasad; Urs, Deepadarshan; Fatima, Ayesha Farhath; Nallasivan, Kumar; Chhabra, Gurmeet Singh; Sayeed, Mohammed; Alshehri, Mohammed Ali; Rab, Safia Obaidur; Khan, Sharuk L.; Emran, Talha Bin
Wound healing is a multifaceted, complex process that factors like aging, metabolic diseases, and infections may influence. The potentiality of polyphenols, natural compounds, has shown anti-inflammatory and antimicrobial properties in promoting wound healing and their potential applications in wound management. The studies reviewed indicate that polyphenols have multiple mechanisms that promote wound healing. This involves enhancing antioxidant defenses, reducing oxidative stress, modulating inflammatory responses, improving healing times, reducing infection rates, and enhancing tissue regeneration in clinical trials and in vivo and in vitro studies. Polyphenols have been proven to be effective in managing hard-to-heal wounds, especially in diabetic and elderly populations. Polyphenols have shown significant benefits in promoting angiogenesis and stimulating collagen synthesis. Polyphenol treatment has been demonstrated to have therapeutic effects in wound healing and chronic wound management. Their ability to regulate key healing processes makes them suitable for new wound care products and treatments. Future research should enhance formulations and delivery methods to optimize polyphenols' bioavailability and therapeutic efficacy in wound management approaches.
Potential Epha2 Receptor Blockers Involved in Cerebral Malaria From Taraxacum officinale, Tinospora cordifolia, Rosmarinus officinalis and Ocimum basilicum
(Scopus, 22-11-04) Shaikh, Mohd Sayeed; Islam, Fahadul; Gargote, Parag P.; Gaikwad, Rutuja R.; Dhupe, Kalpana C.; Khan, Sharuk L.; Siddiqui, Falak A.; Tapadiya, Ganesh G.; Ali, Syed Sarfaraz; Dey, Abhijit; Emran, Talha Bin
Cerebral malaria (CM) is a severe manifestation of parasite infection caused by Plasmodium species. In 2018, there were approximately 228 million malaria cases worldwide, resulting in about 405,000 deaths. Survivors of CM may live with lifelong post-CM consequences apart from an increased risk of childhood neurodisability. EphA2 receptors have been linked to several neurological disorders and have a vital role in the CM-associated breakdown of the blood-brain barrier. Molecular docking (MD) studies of phytochemicals from Taraxacum officinale, Tinospora cordifolia, Rosmarinus officinalis, Ocimum basilicum, and the native ligand ephrin-A were conducted to identify the potential blockers of the EphA2 receptor. The software program Autodock Vina 1.1.2 in PyRx-Virtual Screening Tool and BIOVIA Discovery Studio visualizer was used for this MD study. The present work showed that blocking the EphA2 receptor by these phytochemicals prevents endothelial cell apoptosis by averting ephrin-A ligand-expressing CD8+ T cell bioadhesion. These phytochemicals showed excellent docking scores and binding affinity, demonstrating hydrogen bond, electrostatic, Pi-sigma, and pi alkyl hydrophobic binding interactions when compared with native ligands at the EphA2 receptor. The comparative MD study using two PDB IDs showed that isocolumbin, carnosol, luteolin, and taraxasterol have better binding affinities (viz. -9.3, -9.0, -9.5, and -9.2 kcal/mol, respectively). Ocimum basilicum phytochemicals showed a lower docking score but more binding interactions than native ligands at the EphA2 receptor for both PDB IDs. This suggests that these phytochemicals may serve as potential drug candidates in the management of CM. We consider that the present MD study provides leads in drug development by targeting the EphA2 receptor in managing CM. The approach is innovative because a role for EphA2 receptors in CM has never been highlighted.
Surface Decorated Quantum Dots: Synthesis, Properties and Role in Herbal Therapy
(Emerald Publishing Limited, 2023-03-21) Baig, Mirza Shahed; Suryawanshi, Ravikiran Maheshrao; Zehravi, Mehrukh; Mahajan, Hitendra S.; Rana, Ritesh; Banu, Ahemadi; Subramanian, Muthukumar; Kaundal, Amit Kumar; Puri, Sachin; Siddiqui, Falak A.; Sharma, Rohit; Khan, Sharuk L.; Chen, Kow-Tong; Emran, Talha Bin
Quantum dots are the serendipitous outcome of materials research. It is the tiny carbonaceous nanoparticles with diameters ranging from 1 to 10 nm. This review is a brief discussion of the synthesis, properties, and biomedical applicability of quantum dots, especially in herbal therapy. As quantum dots are highly polar, they can be surface decorated with several kinds of polar functionalities, such as polymeric molecules, small functional molecules, and so on. The review also consists of the basic physical and optical properties of quantum dots and their excitation-dependent properties in the application section. We focus on therapeutics, where quantum dots are used as drugs or imaging probes. Nanoprobes for several diagnostics are quite new in the biomedical research domain. Quantum dot-based nanoprobes are in high demand due to their excellent fluorescence, non-bleaching nature, biocompatibility, anchoring feasibility for several analytes, and fast point-of-care sensibility. Lastly, we also included a discussion on quantum dot-based drug delivery as phytomedicine.
The Design, Synthesis, and Evaluation of Diaminopimelic Acid Derivatives as Potential dapF Inhibitors Preventing Lysine Biosynthesis for Antibacterial Activity
(MDPI Publications, 2022-12-28) Shaikh, Mohd Sayeed; Kale, Mayura A.; Muralidharan, V.; Venkatachalam, T.; Ali, Syed Sarfaraz; Islam, Fahadul; Khan, Sharuk L.; Siddiqui, Falak A.; Urmee, Humaira; Tapadiya, Ganesh G.; Dhawale, Sachin A.; Ming, Long Chiau; Ibrahim, Ibrahim Abdel Aziz; Alzahrani, Abdullah R.; Sarker, Md. Moklesur Rahman; Azlina, Mohd Fahami Nur
We created thiazole and oxazole analogues of diaminopimelic acid (DAP) by replacing its carboxyl groups and substituting sulphur for the central carbon atom. Toxicity, ADME, molecular docking, and in vitro antimicrobial studies of the synthesized compounds were carried out. These compounds displayed significant antibacterial efficacy, with MICs of 70–80 µg/mL against all tested bacteria. Comparative values of the MIC, MBC, and ZOI of the synthesized compound were noticed when compared with ciprofloxacin. At 200 µg/mL, thio-DAP (1) had a ZOI of 22.67 ± 0.58, while ciprofloxacin had a ZOI of 23.67 ± 0.58. To synthesize thio-DAP (1) and oxa-DAP (2), l-cysteine was used as a precursor for the L-stereocenter (l-cysteine), which is recognized by the dapF enzyme’s active site and selectively binds to the ligand’s L-stereocenter. Docking studies of these compounds were carried out using the programme version 11.5 Schrodinger to reveal the hydrophobic and hydrophilic properties of these complexes. The docking scores of compounds one and two were −9.823 and −10.098 kcal/mol, respectively, as compared with LL-DAP (−9.426 kcal/mol.). This suggests that compounds one and two interact more precisely with dapF than LL-DAP. Chemicals one and two were synthesized via the SBDD (structure-based drug design) approach and these act as inhibitors of the dapF in the lysine pathway of bacterial cell wall synthesis.
Unani Formulation Habb-e-Suranjan
(Daffodil International University, 2024-01-09) Ahemad, Ansari Imtiyaz Ahmed Tufail; Aejazuddin, Qazi Majaz Ahamad; Khan, G. J.; Alsayari, Abdulrhman; Wahab, Shadma; Khan, Sharuk L.; Akter, Noor Jahan; Islam, Md. Rezaul; Roy, Arpita; Islam, Fahadul
Habb-e-Suranjan (HES), an Unani formulation, has been studied for its anti-inflammatory properties in both in vitro and in vivo experiments. HES is recommended for arthritis, gout, and joint pain. The current endeavor is an attempt to put it to the test and verify its efficacy scientifically. It was tested for DPPH, hydroxyl, and nitric oxide scavenging activities. It was shown that HES had the greatest TAC and FRAC values when compared to catechin and ascorbic acid. HES exhibited DPPH and hydroxyl radical scavenging activity that was dose-dependent. Incubation of sodium nitroprusside solutions in PBS at 25°C for 150 min resulted in the production of nitric oxide. Nitric oxide production was effectively decreased by HES. Anti-inflammatory medications boosted the migration of PMN cells toward the chemoattractant FMLP in an agarose experiment of PMN chemotaxis. In carrageenan-induced rat paw edema, in the HES-treated group, paw thickness was 3.021 ± 0.084 at t = 0, but it showed an increase in paw inflammation after one hour, i.e., 3.195 ± 0.082 cm which again showed a decrease in paw thickness up to 4th hour, i.e., 3.018 ± 0.078, 2.98 ± 0.032, and 2.684 ± 0.061 at t = 2, 3, and 4, respectively. It showed again getting back to the normal thickness of paw at t = 24 hrs, i.e., 3.029 ± 0.118 cm. It is concluded that the formulation is potent enough and can be used effectively for the treatment of inflammation and associated health issues. Moreover, there is much scope to evaluate its effectiveness using different in vitro and in vivo models.
Virtual Screening, Synthesis, and Biological Evaluation of Some Carbohydrazide Derivatives as Potential DPP-IV Inhibitors
(Daffodil International University, 2023-01-28) Jadhav, Prerana B.; Jadhav, Shailaja B.; Zehravi, Mehrukh; Mubarak, Mohammad S.; Islam, Fahadul; Jeandet, Philippe; Khan, Sharuk L.; Hossain, Nazmul; Rashid, Salma; Ming, Long Chiau; Sarker, Md. Moklesur Rahman; Azlina, Mohd Fahami Nur
Dipeptidyl peptidase-4 (DPP-IV) inhibitors are known as safe and well-tolerated antidiabetic medicine. Therefore, the aim of the present work was to synthesize some carbohydrazide derivatives (1a-5d) as DPP-IV inhibitors. In addition, this work involves simulations using molecular docking, ADMET analysis, and Lipinski and Veber's guidelines. Wet-lab synthesis was used to make derivatives that met all requirements, and then FTIR, NMR, and mass spectrometry were used to confirm the structures and perform biological assays. In this context, in vitro enzymatic and in vivo antidiabetic activity evaluations were carried out. None of the molecules had broken the majority of the drug-likeness rules. Furthermore, these molecules were put through additional screening using molecular docking. In molecular docking experiments (PDB ID: 2P8S), many molecules displayed more potent interactions than native ligands, exhibiting more hydrogen bonds, especially those with chloro- or fluoro substitutions. Our findings indicated that compounds 5b and 4c have IC50 values of 28.13 and 34.94 µM, respectively, under in vitro enzymatic assays. On the 21st day of administration to animals, compound 5b exhibited a significant reduction in serum blood glucose level (157.33 ± 5.75 mg/dL) compared with the diabetic control (Sitagliptin), which showed 280.00 ± 13.29 mg/dL. The antihyperglycemic activity showed that the synthesized compounds have good hypoglycemic potential in fasting blood glucose in the type 2 diabetes animal model (T2DM). Taken all together, our findings indicate that the synthesized compounds exhibit excellent hypoglycemic potential and could be used as leads in developing novel antidiabetic agents.