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Publications (30)
- A Versatile β-Ketophosphonate Building Block for Enantiospecific Synthesis of (−)-4-epi-Gabosine A and Comparative molecular docking studies of (−)-Gabosine A and (−)-4-epi-Gabosine A to Human Glyoxalase, Glutathione transferase M1 and α-Glucosidase Save
- Insights into the nature of weak noncovalent interactions in 2-oxo-2-phenyl-N-(pyridin-2-ylmethyl)ethanethioamide, a potential bioactive agent: X-ray, DFT and molecular docking analysis Save
- Multimodal cell death induced by indirubin-3′-oxime through inhibition of Akt/mTOR axis in lung cancer cells Save
- Synthesis, structural elucidation, Hirshfeld surface, DFT studies, and in-silico studies of 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole : An experimental and theoretical approach Save
- Structural and computational investigation of the novel Isatin derivative: Exploration of the pharmacokinetic and drug properties Save
- Comprehensive structural, electronic, and in-silico characterization of 1-phenyl-5-(m-tolyl)-1H-tetrazole as a potential steroidogenic factor-1 (SF-1) inhibitor candidate Save
- Comprehensive analysis of triazolothiadiazole derivative: From synthesis and crystal structure to quantum chemical and molecular simulation studies on JAK2 protein Save
- Probing the intermolecular interactions, binding affinity, charge density distribution of N-(3-chlorophenyl)-2-cyanoacetamide (NCPC) against Alzheimer’s disease: Insights of experimental and computational techniques Save
- Synthesis and structural studies of novel N-(2,6-dichlorophenyl)-4-[4-(methylsulfonyl) phenyl]-1,3-thiazol-2-amine: Insights from crystallographic to computational studies Save
- Design, synthesis, and mechanistic insights into the anti-proliferative activity of Novel N9-substituted harmine derivatives Save