Somdutt Mujwar

Chitkara University — India

Computer Science · Physical Sciences

29h-index2.7kcitations127works4.92yr avg
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Research Topics

Computational Drug Discovery Methods(44), Synthesis and biological activity(35), Cholinesterase and Neurodegenerative Diseases(13), Synthesis and Characterization of Heterocyclic Compounds(10), Cancer therapeutics and mechanisms(8)

Publications127 total

Deciphering mechanistic and therapeutic insight of pyrazolopyrimidines into MRSA suppression: comprehensive in vitro and in vivo study
Bioorganic Chemistry·2026· 1 cited
Integrative drug discovery approach targeting estrogen receptor: QSAR modelling, molecular docking, molecular dynamics, dft and admet profiling of harmine derivatives
Network Modeling Analysis in Health Informatics and Bioinformatics·2026
Discovery of bioactive inhibitors targeting onion yellow dwarf virus coat protein based on molecular docking and simulation
BMC Plant Biology·2025Open Access
In silico studies of novel naphthalene hydrazone derivatives as enoyl acyl carrier protein reductase inhibitors
Indian Journal of Heterocyclic Chemistry·2025
Deciphering the anthelmintic mechanisms of Operculina turpethum through integrated computational and in vitro approaches
In Silico Pharmacology·2025Open Access
A comprehensive review of targeting sterol 14α-demethylase and sterol C-24 methyl transferase, two pivotal proteins in Leishmania, as compelling therapeutic targets
Bioorganic Chemistry·2025
Computational Design and Evaluation of N-Aryl Oxamic Acid Derivatives Targeting Mycobacterium Tuberculosis Protein Tyrosine Phosphatase B (PtpB): 2D-QSAR, Molecular docking, MD Simulations, DFT, and Pharmacokinetic Profiling
2025Open Access
Computation drug design for ACE inhibitor for high blood pressure management and assessment of pharmacokinetics and toxicity of promising compounds isolated from Gymnema sylvestre
Bioorganic Chemistry·2025· 3 citedOpen Access
In silico design of novel dihydropteridone derivatives with oxadiazoles as potent inhibitors of MCF-7 breast cancer cells
Frontiers in Chemistry·2025· 1 citedOpen Access
Recent developments of the β-ketoacyl-acyl carrier protein synthase III (FabH) inhibitors: Emerging indication as antibacterial agents
European Journal of Medicinal Chemistry·2025· 3 cited
Anticancer Activity of Roburic Acid: In Vitro and In Silico Investigation
International Journal of Molecular Sciences·2025· 1 citedOpen Access
Quinoline Heterocyclic Clubbed Hydrazone Derivatives as Potential Inhibitors of Mutant S. aureus DNA Gyrase A; An In Silico Drug Discovery Approach -Molecular Docking, MD Simulation, DFT Analysis and ADMET Predictions
Current Medicinal Chemistry·2025· 1 cited
Design, Synthesis, Antimicrobial, and Antimalarial Evaluation of Quinoline Hydrazone Derivatives: Insight through Density Functional Theory Analysis, Molecular Docking, and Absorption, Distribution, Metabolism, Excretion, and Toxicity Predictions
ChemMedChem·2025
Synthesis, anticancer evaluation, and electrochemical investigation of new chiral pyrazolo[4,3-e]tetrazolo[1,5-b][1,2,4]triazine sulfonamides
Scientific Reports·2025· 2 citedOpen Access
Design of novel pyrazole and benzofuran-based derivatives as potent acetylcholinesterase inhibitors for Alzheimer’s disease management
Frontiers in Chemistry·2025· 1 citedOpen Access
In silico design of novel pyridazine derivatives as balanced multifunctional agents against Alzheimer’s disease
Scientific Reports·2025· 3 citedOpen Access
Biological and molecular studies of phytoconstituents from Hordeum vulgare L. leaves: potential treatment for prostate (DU-145) and skin cancer (B16-F10) cell line
Beni-Suef University Journal of Basic and Applied Sciences·2025Open Access
In silico Design, Synthesis and Biological Evaluation of Novel Chalcone Derivatives as Potent Tubulin-Targeting Anticancer Agents
Asian Journal of Chemistry·2025Open Access
Development of Spray-Dried Co-crystals of Piperine and Succinic Acid for Solubility Enhancement
Journal of Current Science and Technology·2025Open Access
Design and evaluation of novel triazole derivatives as potential anti-gout inhibitors: a comprehensive molecular modeling study
Frontiers in Chemistry·2025· 16 citedOpen Access
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Frequent Co-authors

Mateusz Kciuk(11), Renata Kontek(10), Adrianna Gielecińska(9), Thakur Gurjeet Singh(6), Mohamed El fadili(6), Samrat Chauhan(5), Kamal Shah(5), Jeetendra Kumar Gupta(5), Mohammed Er-rajy(5), Menana Elhallaoui(5), Mariusz Mojzych(4), Sanchit Dhankhar(4), Sara Zarougui(4), Kamal Raj Pardasani(4), Monika Saini(4), Beata Marciniak(3), Nitika Garg(3), Damian Kołat(2), Żaneta Kałuzińska‐Kołat(2), İsmail Çeli̇k(2)