A5049679012- Computational Drug Discovery Methods
- Synthesis and biological activity
- Synthesis and Biological Evaluation
- Cancer therapeutics and mechanisms
- Bioactive Compounds and Antitumor Agents
- interferon and immune responses
- SARS-CoV-2 and COVID-19 Research
- Drug Transport and Resistance Mechanisms
- Natural product bioactivities and synthesis
- Malaria Research and Control
- Metabolomics and Mass Spectrometry Studies
- Pharmacological Effects of Natural Compounds
- Survey Sampling and Estimation Techniques
- Free Radicals and Antioxidants
- Cancer, Hypoxia, and Metabolism
- Lipid Membrane Structure and Behavior
- Antibiotic Resistance in Bacteria
- Plasma Applications and Diagnostics
- PI3K/AKT/mTOR signaling in cancer
- Synthesis and Catalytic Reactions
- Ubiquitin and proteasome pathways
- Essential Oils and Antimicrobial Activity
- COVID-19 Clinical Research Studies
- Berberine and alkaloids research
- Click Chemistry and Applications
Gachon University
2017-2025
Jamia Millia Islamia
2024
Indian Institute of Technology Kanpur
2022-2024
Glocal University
2023
National Institute of Health and Family Welfare
2020-2023
Nepal Medical College Teaching Hospital
2022
Narendra Dev University of Agriculture and Technology
2021
University of Allahabad
2021
Central Institute of Medicinal and Aromatic Plants
2011-2021
Council of Scientific and Industrial Research
2011-2021
Plasma medicine is an upcoming research area that has attracted the scientists to explore more deeply utility of plasma. So, apart from treating biomaterials and tissues with plasma, we have studied effect soft plasma different feeding gases such as Air, N2 Ar on modification biomolecules. Hence, in this work used biomolecules proteins ((Hemoglobin (Hb) Myoglobin (Mb)), calf thymus DNA amino acids. The structural changes or been using circular dichroism (CD), fluorescence spectroscopy,...
Abstract In this study, pharmacophore based 3D QSAR models for human acetylcholinesterase (AChE) inhibitors were generated, with good significance, statistical values (r 2 training = 0.73) and predictability (q 0.67). It was further validated by three methods (Fischer’s test, decoy set Güner-Henry scoring method) to show that the can be used predict biological activities of compounds without costly time-consuming synthesis. The criteria virtual screening also testing selective AChE...
Abstract Lipid peroxidation by reactive oxygen species (ROS) during oxidative stress is non-enzymatic damage that affects the integrity of biological membrane, and alters fluidity permeability. We conducted molecular dynamic simulation studies to evaluate structural properties bilayer after lipid measure permeability distinct ROS. The oxidized membrane contains free fatty acid, ceramide, cholesterol, 5α-hydroperoxycholesterol (5α-CH). result unconstrained simulations revealed causes...
A continual rise in severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) infection causing coronavirus disease (COVID-19) has become a global threat. The main problem comes when SARS-CoV-2 gets mutated with the rising and becomes more lethal for humankind than ever. Mutations structural proteins of SARS-CoV-2, i.e., spike surface glycoprotein (S), envelope (E), membrane (M) nucleocapsid (N), replication machinery enzymes, protease (M pro ) RNA-dependent RNA polymerase (RdRp) creating...
Developing new therapeutic strategies to target specific molecular pathways has become a primary focus in modern drug discovery science. Fibroblast growth factor receptor 2 (FGFR2) is critical signaling protein involved various cellular processes and implicated numerous diseases, including cancer. Existing FGFR2 inhibitors face limitations like resistance specificity issues. In this study, we present an integrated structure-based bioinformatics analysis explore the potential of...
Withanolides are a group of pharmacologically active compounds present in most prodigal amounts roots and leaves Withania somnifera (Indian ginseng), one the important medicinal plants Indian traditional practice medicine. steroidal lactones (highly oxygenated C-28 phytochemicals) have been reported to exhibit immunomodulatory, anticancer other activities. In study, quantitative structure activity relationship (QSAR) model was developed by forward stepwise multiple linear regression method...
Recently, atmospheric-pressure non-thermal plasma-jets (APPJ) are being for the cancer treatment. However, APPJ still has drawbacks such as efficiency and rise in temperature after So, this work, a synergetic agent D2O vapour is attached to which not only increase of plasma source against treatment, but also controlled during OD generated by combination + N2 helped enhancing APPJ. We observed induced apoptosis on melanocytes G361 cells through DNA damage signalling cascade. Additionally, we...
SIRT6 and COX-2 are oncogenes target that promote the expression of proinflammatory pro-survival proteins through a signaling pathway, which leads to increased survival proliferation tumor cells. However, also suppresses skin tumorigenesis their relationship with SIRT6, making it an interesting for discovery drugs anti-inflammatory anti-cancer properties. Herein, we studied interaction thieno[3,2-c]pyran analogs RONS species use molecular docking dynamic simulations. Molecular studies...
Abstract Malignant melanoma is considered to be a heterogeneous disease that arises from altered genes and transformed melanocytes. In this study, special softjet cold atmospheric plasma was used treat three different human cells using air N 2 gases check the anti-melanoma activity. The physical effects by revealed an increase in temperature with gradual reduction pH at 60 sec, 180 sec 300 treatment. Cellular toxicity decreased cell survival (~50% gas <~60% treatment G-361 cells). Gene...
Fighting against the emergent coronavirus disease (COVID-19) remains a big challenge at front of world communities. Recent research has outlined potential various medicinal herbs to counteract infection. This study aimed evaluate interaction artemisinin, sesquiterpene lactone extracted from Artemisia genus, and its derivatives with SARS-CoV-2 main protease. To assess their use COVID-19, interactions active principle severe acute respiratory syndrome 2 (SARS-CoV-2) protease (Mpro) was...
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha (PIK3CA) plays a crucial role in signaling pathways and has emerged as an attractive target for anticancer therapy. Developing small-molecule inhibitors targeting PIK3CA promising therapeutic strategy. Here, we employed in-silico approaches to identify potential of from pool bioactive phytoconstituents available IMPPAT 2.0 database. The initial screening was based on their drug-like properties docking score followed by...
cAMP-specific 3′,5′-cyclic phosphodiesterase 4 A (PDE4A) holds a pivotal role in modulating intracellular levels of cyclic adenosine monophosphate (cAMP). Targeting PDE4A with novel therapeutic agents shows promise addressing neurological disorders (e.g. Alzheimer's and Parkinson's diseases), mood (depression, anxiety), inflammatory conditions (asthma, chronic obstructive pulmonary disease), even cancer. In this study, we present comprehensive approach that integrates virtual screening...
As a part of our drug discovery program, ursolic acid was chemically transformed into six semi-synthetic derivatives, which were evaluated for their antibacterial and resistance reversal potential in combination with conventional antibiotic nalidixic against the acid-sensitive acid-resistant strains Escherichia coli. Although its all derivatives did not show activity own, but combination, they significantly reduced minimum inhibitory concentration up to eightfold. The...