A5057717045- Computational Drug Discovery Methods
- Phytochemicals and Antioxidant Activities
- Cancer therapeutics and mechanisms
- Liver Disease Diagnosis and Treatment
- Click Chemistry and Applications
- Genetics, Bioinformatics, and Biomedical Research
- Genomics, phytochemicals, and oxidative stress
- Natural Antidiabetic Agents Studies
- Synthesis and biological activity
- Nigella sativa pharmacological applications
- Cancer-related Molecular Pathways
- DNA and Nucleic Acid Chemistry
- Retinoids in leukemia and cellular processes
- Pharmacological Effects of Natural Compounds
- Pharmacogenetics and Drug Metabolism
- Monoclonal and Polyclonal Antibodies Research
- Cynara cardunculus studies
- Algal biology and biofuel production
- Hemoglobinopathies and Related Disorders
- Coenzyme Q10 studies and effects
- Hepatitis C virus research
- Protein Kinase Regulation and GTPase Signaling
- Synthesis and Biological Evaluation
- Drug Transport and Resistance Mechanisms
- Diabetes Treatment and Management
University of Maryland, College Park
2022-2025
Crescent University
2022-2023
Ladoke Akintola University of Technology
2020-2023
With the financial requirements and high time associated with bringing a commercial drug to market, application of computer-aided design has been recognized as powerful technology in discovery pipeline. In accelerating discovery, molecular modeling techniques have experienced considerable growth computational capabilities over last decade. Pharmaceutical companies academic research organizations are currently using various lower cost required for an effective drug. this article, we focus on...
Abstract Background Breast cancer, particularly the human epidermal growth factor receptor 2 positive subtype, presents a significant global health challenge due to its high prevalence and mortality rates. This study delves into molecular intricacies of HER-2 breast with an emphasis on role oncoprotein associated signaling pathways in cell growth, differentiation, survival. In our pursuit overcoming limitations one leading therapeutic options, Lapatinib, such as inhibition hERG, we embarked...
The 90 kDa Heat Shock Protein (Hsp90) is an essential and highly conserved molecular chaperone that supports the folding maturation of a diverse array client proteins across prokaryotic eukaryotic organisms. In bacteria, HtpG, Hsp90 homolog, plays central role in stress response protein homeostasis, particularly under high-temperature other conditions. Despite extensive studies on HtpG from E. coli, biochemical properties functional roles cyanobacterial remain poorly characterized. Here, we...
Inhibition of Tumor Necrosis Factor-alpha (TNF-alpha) represents a therapeutic approach towards the management or treatment various inflammatory diseases like rheumatoid arthritis and cancer, but current regimen against this target in these is use antibodies which may trigger an autoimmune response. This suggests search for small-molecule inhibitors that could selectively inhibit protein target. In present study, fifty-five bioactive compounds plant origin with already reported...
KRAS is one of the most investigated anticancer targets today, owing to its common mutations in a variety lethal malignancies. G12C has been focus cancer research since identification druggable allosteric binding site located close vicinity with mutation. Herein, we present computer-assisted drug discovery strategy for discovering new and selective covalent inhibitors. With screening an online database that holds millions assayed curated compounds targeted against G12C, total 1001 were...
A prospective target for the therapy of solid tumors is KRAS G12D, most prevalent oncogenic mutation. However, despite decades research that focused on identification druggable compounds against this highly challenging therapeutic cancer target, no drug has been clinically approved treatment G12D-driven cancers. Herein, we employed computational techniques such as molecular docking and dynamics simulations to investigate small-molecule with potential bind putatively G12D. The screening...
Cancer is a major global health issue that has high mortality rate. p53, which functions as tumor suppressor, critical in preventing development by regulating the cell cycle and inducing apoptosis damaged cells. However, suppressor function of p53 effectively inhibited its direct interaction with hydrophobic cleft MDM2 protein via multiple mechanisms As result, restoring activity blocking p53-MDM2 protein-protein been proposed compelling therapeutic strategy for cancer treatment. The use...
While a fine balance in the pro-apoptotic and anti-apoptotic family members of B-cell lymphoma-2 (Bcl-2) protein represents normal signaling profile, tilt towards has fortified different forms cancers with survival advantage resistance against treatment. Induction apoptosis is key therapeutic approach cancer drug discovery, inhibition B cell lymphoma extra-large (Bcl-xL) long-standing clinical target for therapy. In this study, we combined computer-aided approaches to report putative binders...
To assess acute toxicity, the
Mitigation of postprandial blood glucose and inhibition carbohydrate-digesting enzymes is an indispensable measure for the treatment or management type II diabetes mellitus. Medicinal plants due to their diverse bioactive compounds have been reported umpteen times in diabetes. Hence, research exploits both vitro silico methodologies investigate antidiabetic capacity Curcuma longa aqueous extract. Its phytochemical components were deduced quantified conjunction with its antioxidant...
Inhibition of carbohydrate digestion enzymes (α-amylase and α-glucosidase) has been reported in studies as a therapeutic approach for the management or treatment type 2 diabetes mellitus, owing to its potential decrease postprandial hyperglycemia. The anti-diabetic Allium sativum (also known garlic) against mellitus established. Therefore, this study, we assessed antidiabetic A. using vitro enzyme assays after which explored computational modelling quantified GC-MS identities unravel key...
Despite all blood donations being tested routinely for HBsAg as a clinical marker of transmissible HBV, cases post-transfusion hepatitis B virus infection are still reported because molecular studies using Polymerase Chain Reaction (PCR) not available Transfusion Transmissible Infection (TTIs) testing. In this study, we sought to use the PCR technique re-screen donated that had already been proven be non-reactive with rapid diagnostic testing and ELISA. One hundred eighty-five samples were...