Malkeet Singh Bahia

University of British Columbia Hospital — Canada

Computer Science · Physical Sciences

16h-index1.1kcitations37works0.02yr avg
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Research Topics

Computational Drug Discovery Methods(18), Synthesis and biological activity(11), Enzyme function and inhibition(5), Inflammatory mediators and NSAID effects(4), Cytokine Signaling Pathways and Interactions(4)

Publications37 total

A comparison between 2D and 3D descriptors in QSAR modeling based on bio‐active conformations
Molecular Informatics·2023· 47 citedOpen Access
Stability Prediction for Mutations in the Cytosolic Domains of Cystic Fibrosis Transmembrane Conductance Regulator
Journal of Chemical Information and Modeling·2021· 14 citedOpen Access
Drug metabolizing enzymes-associated chemo resistance and strategies to overcome it
Drug Metabolism Reviews·2019· 55 cited
BitterDB: taste ligands and receptors database in 2019
Nucleic Acids Research·2018· 220 citedOpen Access
Rescoring of docking poses under Occam’s Razor: are there simpler solutions?
Journal of Computer-Aided Molecular Design·2018· 15 citedOpen Access
Putative dual inhibitors of Janus kinase 1 and 3 (JAK1/3): Pharmacophore based hierarchical virtual screening
Computational Biology and Chemistry·2018· 5 cited
Computational design of new protein kinase D 1 (PKD1) inhibitors: homology-based active site prediction, energy-optimized pharmacophore, docking and database screening
Molecular Diversity·2017· 4 cited
Bitterness prediction in-silico : A step towards better drugs
International Journal of Pharmaceutics·2017· 41 cited
Pharmacophore and docking-based hierarchical virtual screening for the designing of aldose reductase inhibitors: synthesis and biological evaluation
Medicinal Chemistry Research·2016· 17 cited
Benzimidazole derivatives: search for GI-friendly anti-inflammatory analgesic agents
Acta Pharmaceutica Sinica B·2015· 72 citedOpen Access
Thiazolidine-2,4-dione derivatives: Programmed chemical weapons for key protein targets of various pathological conditions
Bioorganic & Medicinal Chemistry·2015· 114 citedOpen Access
Aldose reductase inhibitors for diabetic complications: Receptor induced atom-based 3D-QSAR analysis, synthesis and biological evaluation
Journal of Molecular Graphics and Modelling·2015· 12 cited
Interleukin-1 receptor associated kinase inhibitors: Potential therapeutic agents for inflammatory- and immune-related disorders
Cellular Signalling·2015· 54 cited
Synthesis, cytotoxic activity, and computational analysis of N10-substituted acridone analogs
Medicinal Chemistry Research·2014· 15 cited
Synthesis, cytotoxic study and docking based multidrug resistance modulator potential analysis of 2-(9-oxoacridin-10(9H)-yl)-N-phenyl acetamides
European Journal of Medicinal Chemistry·2014· 39 cited
Imidazo[1,2-a]pyrazine inhibitors of phosphoinositide 3-kinase alpha (PI3K<i>α</i>): 3D-QSAR analysis utilizing the Hybrid Monte Carlo algorithm to refine receptor-ligand complexes for molecular alignment
SAR and QSAR in environmental research·2014· 2 cited
Inhibitors of Microsomal Prostaglandin E<sub>2</sub> Synthase‐1 Enzyme as Emerging Anti‐Inflammatory Candidates
Medicinal Research Reviews·2014· 47 cited
Purinergic receptor P2X7: A novel target for anti-inflammatory therapy
Bioorganic & Medicinal Chemistry·2013· 102 citedOpen Access
Receptor Guided 3D-QSAR Analysis of Thieno[2,3-b]Pyridine-5- Carbonitrile Inhibitors of Protein Kinase C Theta (PKC-&amp;#952; )
Combinatorial Chemistry & High Throughput Screening·2013· 1 cited
Glutamine: fructose-6-phosphate amidotransferase (GFAT): homology modelling and designing of new inhibitors using pharmacophore and docking based hierarchical virtual screening protocol
SAR and QSAR in environmental research·2013· 29 cited
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Frequent Co-authors

Om Silakari(20), Maninder Kaur(11), Om Silakari(8), Sukhvir Chand(6), Bhawna Vyas(6), Navriti Chadha(4), Pragati Silakari(4), Om Silakari(4), Nisha Mehta(3), Manjinder Singh(3), Hanoch Senderowitz(3), Maninder Kaur(3), Ido Nissim(2), Masha Y. Niv(2), Pankaj Kumar Singh(2), Netaly Khazanov(2), Rajesh Kumar(2), Baldev Singh(2), Archana Kumari(2), Shravan Kumar Gunda(2)