Browsing by Author "Bin Emran, Talha"

Now showing 1 - 12 of 12

Flavonoids as Potential Therapeutics Against Neurodegenerative Disorders: Unlocking the Prospects
(2024-06-01) Faysal, Md.; Dehbia, Zerrouki; Zehravi, Mehrukh; Sweilam, Sherouk Hussein; Akiful Haque, M.; Kumar, Kusuma Praveen; D. Chakole, Rita; P. Shelke, Satish; Sirikonda, Swapna; H. Nafady, Mohamed; L. Khan, Sharuk; Nainu, Firzan; Ahmad, Irfan; Bin Emran, Talha
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.
G20 Summit in India: Unveiling the Digital Health Initiative with 'Vasudhaiva Kutumbakam
(2023-09-24) Chopra, Hitesh; Choudhary, Priyanka; Choudhary, O.P.; Bin Emran, Talha
The global scientific community has made significant efforts to encounter various infectious diseases outbreaks in the last three decades, such as SARS, MERS, SARS-CoV-2 and mpox. The 18th Heads of State and Government Summit of the Group of 20 (G20) will take place on 9th and 10th September 2023 in New Delhi, India. Under the Indian Presidency, the G20 in 2023 will focus on the theme, 'One Earth, One Family, One Future' or 'Vasudhaiva Kutumbakam', the Sanskrit text from Maha Upanishad. The theme affirms the value of humans, animals, plants, and microorganisms and their interconnectedness on Earth and in the broader universe. This correspondence highlights the relevance of the G20 summit 2023 to be organized in New Delhi, India, on 9th and 10th September 2023 in implementation of the 'One Health' concept. The G20 is made up of 19 countries and the European Union. The 19 countries are Argentina, Australia, Brazil, Canada, China, Germany, France, India, Indonesia, Italy, Japan, the Republic of Korea, Mexico, the Russian Federation, Saudi Arabia, South Africa, Turkey, the UK, and the US. India holds the Presidency of the G20 from 1st December 2022 to 30th November 2023.
Hepatoprotective and cardioprotective effect of Artemisia nilagirica leaf extract on E. coli challenged broiler chicken
(2024-02-29) Thakur, Shalini; Kumar, Rakesh; Asrani, R.K.; Thakur, Meenakshi; Kumar Patel, Shailesh; Damu Patil, Rajendra; Obaidullah, Ahmad J.; Bin Emran, Talha
Artemisia nilagirica is an important medicinal plant found to exhibit several medicinal properties but the use of its leaves for combating E. coli infection has not been scientifically validated in poultry. The present study was conducted to evaluate the protective effects of methanol leaf extract of A. nilagirica (ANE) on E. coli challenged broiler chickens. Three hundred and thirty, day-old broiler chickens, were divided into 6 groups of 55 each, with group EX infected intraperitoneally (I/P) with LD50 dose of 1 × 107 cfu/ml of E. coli; group(s) EA1, EA2 and EA3 infected I/P with 1 × 107 cfu/ml of E. coli and supplemented with ANE @ 0.5, 1.0 and 2.0 g/L of drinking water, respectively; group AX were only given ANE @ 2.0 g/L in the drinking water. ANE treatment was started from day 4 and was continuously given in the drinking water up to day 21. E. coli infection was given to the birds on day 7 of their age. The effect of the plant extract was evaluated on the basis of gross, microscopic and ultrastructural alterations in E. coli challenged broiler chickens. The extract of A. nilagirica was found to show antibacterial, cardioprotective and hepatoprotective properties in a dose-dependent manner on the basis of gross and microscopic examination. The methanol extract of A. nilagirica leaves revealed no toxic effect on the hepatocytes on ultrastructural evaluation. This study demonstrates the antimicrobial, hepatoprotective and cardioprotective activities of ANE in broiler chickens infected with E. coli organism.
Integrating AI and Neuroradiology
(2024-09-19) Chopra, Shivani; Bin Emran, Talha
Integrating AI and Neuroradiology Rapid advancement and transformation of the area of neuroradiography by Artificial Intelligence (AI) is offering creative ideas improving diagnosis accuracy and efficiency. Using AI to detect and segment ischaemic strokes on CT and MRI scans-where it may find major artery occlusions and estimate stroke severity scores-is one of the most important uses for the technology in this field. AI models have also shown good accuracy in identifying and segmenting certain forms of cerebral haemorrhage, therefore supporting radiologists in fast and exact diagnosis. By combining imaging, histologic, molecular, and clinical data to simulate tumour biology, AI helps in the context of brain tumours not only in identifying and segmenting tumours but also in monitoring therapy responses. Moreover, AI is being used to measure white matter hyperintensities and identify trends in disorders such multiple sclerosis. 2-4 It also aids in tracking the development of neurocognitive diseases such Parkinson's and Alzheimer's by screening for and classification.
Investigating Potential Therapeutics for Bacterial and Cancerous Diseases: Silver Nanoparticles as a Choice
(2024-02-24) Nafady, Mohamed; Bin Emran, Talha; Pratap Singh, Laliteshwar; Suchitra, D; Akiful Haque, M; Joshi, Neha; B Parmar, Akil; Al Amin, Md; Shahriar, S. M. Shatil; Nainu, Firzan
Silver nanoparticles (AgNPs) have been identified as an efficient antibacterial representative capable of combating bacteria that cause infections. AgNPs have antibacterial properties against Gram-negative and Gram-positive bacteria and multidrug-resistant pathogens. AgNPs have various contemporary modes of action, and when used in conjunction with antibacterial agents such as chemical combinations or antibiotics, they have a synergic activity on bacteria pathogens. AgNPs have been extensively researched as components of sophisticated anti-cancer medications for improving cancer management in the clinic. The reduction of substances on silver ions often produces AgNPs. Living organisms and natural products, moreover, exceptional cascade for synthesizing AgNPs harbingers. AgNPs have properties that make them excellent for use in medical and healthcare goods, where they can effectively reduce the risk of developing infections. This review discusses the antibacterial and anti-cancer properties of AgNPs, and the benefits of using AgNPs as a novel, effective antibacterial combination with antibiotics, which will lessen the dosage required and avoid potential hazards.
Investigation of Scutellaria baicalensis for Potential Neuroprotective Effect on the Treatment of Parkinson's Disease
(2024-02-03) Zubair Baba, Mohammad; Subramanian, Gomathy; Chand, Jagdish; Nainu, Firzan; Wahedi, Umair; Potlapati, Varakumar; Jayanthi, Koppula; Azeemuddin, Mohammed; Bin Emran, Talha
Parkinson's disease (PD) is a progressive neurological disorder that lacks adequate treatment, and researchers have focused on rescuing or delaying neurodegeneration in PD. Scutellaria baicalensis has shown promising results in reducing oxidative stress and demonstrating a neuroprotective effect on PD animal models. However, the exact mechanism by which S. baicalensis treats PD is not yet fully understood. To investigate the potential molecular mechanisms underlying S. baicalensis antiparkinsonian efficacy, this study used network pharmacology. Open-source datasets were used to compile phytoconstituents, and virtual screening was conducted to identify hit phytoconstituents that target proteins involved in PD development. The drug-likeness value, ADMET analyses, and negative consequences of the phytochemical constituent were evaluated. Regulating pathways were anticipated with the Kyoto Encyclopedia of Genes (KEGG) record. 7 phytochemical constituents from S. baicalensis were found to alter the activity of proteins involved in PD occurrence, with 5-hydroxy-7,8- dimethoxyflavones having the highest docking result of -8.337 kcal/mol and active amino acids SER 91, as well as the drug-likeness value at the highest edge points. Through the networking of phytoconstituents, genes, and pathways, the study revealed that the neuroactive ligand-receptor interaction route was tightly synchronized.
Molecular Docking, Quantum Mechanics and Molecular Dynamics Simulation of Anti-CAD Drugs Against High-Risk Xanthine Dehydrogenase Variants Associated with Oxidative Stress Pathways
(2024-09-15) Janakiraman, V.; Sudhan, M.; Ahmad, Sheikh F.; Attia, Sabry M.; Bin Emran, Talha; Ahmed, Shiek S. S. J.
Xanthine dehydrogenase (XDH) contributes significantly to generating reactive oxygen species in coronary artery disease (CAD). XDH has been proposed as a therapeutic target, but its genetic variants could affect protein structure and drug response. We aimed to assess protein structure modification occur due to genetic variants and to screen 215 CAD drugs for their utility in personalized CAD treatment against the XDH variants. A series of computational methods were implemented to identify pathogenic variants that cause XDH structure instability localized at the con served regions contributing to functional significance. Then, the XDH structures with the pathogenic variants were modeled using two different approaches to select the best models for docking with the CAD drugs. Finally, the stability of the docked complexes and their ability to transfer electrons were evaluated using molecular dynamics (MD) simulations and quantum mechanics/molecular mechanics (QM/MM) calculation. Among 751 variants examined; R149C and Q919R showed high pathogenicity, localized in conserved regions could alter protein structure and function. Further, docking of CAD drugs against XDH (native, R149C and Q919R) showed vericiguat with higher affinity, ranging from −7.95 kcal/mol to −10.41 kcal/mol, than the well-known XDH inhibitor (febuxostat, −5.73 kcal/mol to −8.35 kcal/mol). This indicates that vericiguat will be effective in CAD treatment, regardless of the XDH variants. Additionally, MD simulation and QM/MM confirmed vericiguat stability and electron transfer ability to form hydrogen bonds with the XDH protein. In conclusion, vericiguat will be beneficial for the personalized treatment of CAD by inhibiting XDH variants. Additional clinical studies are necessary to confirm our findings.
Molecular Docking, Synthesis and Biological Evaluation of New Benzimidazole-Pyridine Derivatives as Potential Aromatase Inhibitor for the Treatment of Cancer
(2024-09-30) Sabale, Prafulla; Sayyad, Nusrat; Sabale, Vidya; Begum, Touseef; Prakash, Jatla Murali; Gobalakriahnan, P.; Hemalatha, K.; Parupathi, Prashanth; Reddy, Konatham Teja Kumar; Kolli, Deepti; Ali Alshehri, Mohammed; Obaidur Rab, Safia; Bin Emran, Talha
This study describes the synthesis of N5-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-N2-phenylpyridine-2,5-diamine derivatives from Orthophenylenediamine (1) and 4-aminobenzoic acid (2) and all the synthesized chemical moieties screened against a panel of cancer cell lines resulted in the identification compound 6 a with good anti-cancer potential and a GI50 of 2.95 μM, 3.35 μM, 2.27 μM, 8.46 nM and 1.56 μM against MDAMB-231, MCF-7, A-549, NCI-H23 and A-498 respectively. As the second greatest cause of death globally, cancer continues to pose a serious threat to public health. An essential enzyme called aromatase catalyses the last, rate-limiting step in the production of oestrogens. As a well-researched endocrine therapeutic strategy, aromatase inhibitors (AIs) efficiently block the production of oestrogen, which is necessary for aromatase activity.
Mycobacterium tuberculosis : a new hitchhiker in the etiopathogenesis of periodontitis
(2024-06-01) MohanaSundaram, ArunSundar; Gohil, Namra Vinay; Etekochay, Maudlyn O; Patel, Premalkumar; Gurajala, Swathi; Sathanantham, Shanmugarajan Thukani; Nsengiyumva, Mugisha; Kumar, Santosh; Bin Emran, Talha
Periodontitis, a chronic inflammatory disease of the gums affects both the ligament and alveolar bone. A severe form of periodontal disease affects a strikingly high number of one billion adults globally. The disease permutes both the soft and hard tissues of the oral cavity leading to localized and systemic diseases. Periodontitis has a deleterious impact on systemic health causing diabetes, cardiovascular diseases (CVD), and other disease. The cause of the enhanced inflammatory process is due to dysbiosis and an unregulated immune response. Innate immune response and T cells trigger uninhibited cytokine release causing an unwarranted inflammatory response. The RANK- RANKL interaction between osteoblasts, immune cells, and progenitor osteoclasts results in the maturation of osteoclasts, which promote bone resorption. It is well established that dysbiosis of the oral cavity has been implicated in periodontitis. But emerging reports suggest that the pulmonary pathogen, Mycobacterium tuberculosis (Mtb), causes extrapulmonary diseases such as periodontitis. Many clinical case reports advocate the involvement of Mtb in periodontitis, which poses a threat with the surge of tuberculosis in HIV and other immunocompromised individuals. Fostering a better understanding of the mechanism, causative agents and control on inflammatory response is imperative in the prevention and treatment of periodontitis.
Polyphenols as Therapeutics in Respiratory Diseases: Moving from Preclinical Evidence to Potential Clinical Applications
(2024-06-03) Bin Emran, Talha; Eva, Taslima Akter; Zehravi, Mehrukh; Islam, Fahadul; Khan, Jishan; Kareemulla, Shaik; Venkata Arjun, Uppuluri Varuna Naga; Balakrishnan, Anitha; Taru, Poonam Popatrao; Nainu, Firzan; Salim, Emil; Rab, Safia Obaidur; H Nafady, Mohamed; Wilairatana, Polrat; Park, Moon Nyeo; Kim, Bonglee
Respiratory diseases are the most common and severe health complication and a leading cause of death worldwide. Despite breakthroughs in diagnosis and treatment, few safe and effective therapeutics have been reported. Phytochemicals are gaining popularity due to their beneficial effects and low toxicity. Polyphenols are secondary metabolites with high molecular weights found at high levels in natural food sources such as fruits, vegetables, grains, and citrus seeds. Over recent decades, polyphenols and their beneficial effects on human health have been the subject of intense research, with notable successes in preventing major chronic non-communicable diseases. Many respiratory syndromes can be treated effectively with polyphenolic supplements, including acute lung damage, pulmonary fibrosis, asthma, pulmonary hypertension, and lung cancer. This review summarizes the role of polyphenols in respiratory conditions with sufficient experimental data, highlights polyphenols with beneficial effects for each, and identifies those with therapeutic potential and their underlying mechanisms. Moreover, clinical studies and future research opportunities in this area are discussed.
Polyphenols Targeting MAP Kinase Signaling Pathway in Neurological Diseases: Understanding Molecular Mechanisms and Therapeutic Targets
(2024-05-24) Islam, Fahadul; Roy, Sumon; Zehravi, Mehrukh; Paul, Shyamjit; Sutradhar, Hriday; Yaidikar, Lavanya; Kumar, B Raj; Dogiparthi, Lakshman Kumar; Prema, S; Nainu, Firzan; Bin Emran, Talha; Rab, Safia Obaidur; Doukani, Koula
Polyphenols are a class of secondary metabolic products found in plants that have been extensively studied for how well they regulate biological processes, such as the proliferation of cells, autophagy, and apoptosis. The mitogen-activated protein kinase (MAPK)-mediated signaling cascade is currently identified as a crucial pro-inflammatory pathway that plays a significant role in the development of neuroinflammation. This process has been shown to contribute to the pathogenesis of several neurological conditions, such as Alzheimer's disease (AD), Parkinson's disease (PD), CNS damage, and cerebral ischemia. Getting enough polyphenols through eating habits has resulted in mitigating the effects of oxidative stress (OS) and lowering the susceptibility to associated neurodegenerative disorders, including but not limited to multiple sclerosis (MS), AD, stroke, and PD. Polyphenols possess significant promise in dealing with the root cause of neurological conditions by modulating multiple therapeutic targets simultaneously, thereby attenuating their complicated physiology. Several polyphenolic substances have demonstrated beneficial results in various studies and are presently undergoing clinical investigation to treat neurological diseases (NDs). The objective of this review is to provide a comprehensive summary of the different aspects of the MAPK pathway involved in neurological conditions, along with an appraisal of the progress made in using polyphenols to regulate the MAPK signaling system to facilitate the management of NDs.
Potential Inhibitors from Natural Compounds against SARS-CoV-2 Main Protease: A Systematic Molecular Modelling Approach
(2024-02-12) Raman, Kannan; Kalirajan, Rajagopal; Islam, Fahadul; Zehravi, Mehrukh; Singh, Laliteshwar Pratap; Rana, Ritesh; Murugesan, Sankaranarayanan; Jupudi, Srikanth; Akash, Shopnil; Byran, Gowramma; Nainu, Firzan; Bin Emran, Talha; Dawoud, Turki M.; Bourhia, Mohammed; Barua, Rashu
The COVID-19 outbreak poses a significant threat to the world‘s human population in 2020. Finding new drugs rapidly during this pandemic is quite challenging. Thus, in silico drug screening experiments may provide effective therapeutic alternatives for better assessing natural remedies in preventing and treating COVID-19. The main protease (Mpro) is an important drug target that is essential and ubiquitous for the survival of SARS-CoV-2. In this study, we performed in silico high-throughput virtual screening to identify potential hits employing a database of 3 million natural compounds (supernatural-II database). The initially obtained top 100 virtual hits were subjected to a standard SP and XP docking protocol, achieving the top 30 hits. Compounds SN00340755 (glide score: −16.0 kcal/mol and ΔGbind: −134.29 kcal/mol) and SN00213037 (glide score: −13.30 kcal/mol and ΔGbind: −81.18 kcal/mol) exhibited significant binding energy against Mpro (PDB ID: 6XQS). The ligands SN00340755 and SN00213037 formed multiple hydrogen bonds with the catalytic residues, especially with the functionally important residue GLU166, which plays a significant role in protomer dimerization. Further post-docking minimization studies (MM-GBSA) were performed to estimate the ligand-protein affinity. From MM-GBSA studies, it was observed that Coulombic (−140.70 to −37.66 kcal/mol) and van der Waals (−79.32 to −20.59 kcal/mol) energies, favoring the binding of ligands to the Mpro target protein. The ADMET properties were predicted using Qikprop, Chem Axon, and Data Warrior tools, demonstrating the beneficial pharmacokinetic parameters of these natural compounds. The 100 ns molecular dynamics simulation study revealed minor protein fluctuations, indicating the stability of the protein-ligand complex.