Dheeraj Kumar

Investigation of the crystal structure, supramolecular architecture and in-silico myelofibrosis inhibition of a triazole derivative: a structural and theoretical approach

Dheeraj Kumar, B.S. Chethan, Darshini Gowda et al. · Journal of Molecular Structure · 2023 · 27 citations

Pharmacy, Medicinal Chemistry, Pharmacology +15

Structural elucidation and in-silico evaluation of 1,2,4-triazole derivative as potent Omicron variant of SARS-CoV-2 spike protein inhibitor with pharmacokinetics ADMET and drug-likeness predictions

Dheeraj Kumar, B.S. Chethan, Veeresha Gowda Shalini et al. · Journal of Molecular Structure · 2023 · 23 citations

Pharmacy, Medicinal Chemistry, Pharmacokinetics +17

Unveiling the structural and theoretical properties of 6-(2-fluoro-3-methylpyridin-4-yl)-2-(4-methoxyphenyl)-N-phenylquinoline-4-carboxamide compound as Sonic Hedgehog protein inhibitor: Synthesis, SCXRD, HSA, DFT, Docking and ADMET studies

Veeresha Gowda Shalini, Dheeraj Kumar, Darshini Gowda et al. · Journal of Molecular Structure · 2025 · 17 citations

Pharmacy, Medicinal Chemistry, Pharmacology +14

A comprehensive investigation of 4-(4-chlorophenyl)-3-methyl-6,7,8,9-tetrahydroisoxazolo[5,4-b]quinolin-5(4H)-one as potential anticancer agent: Insights from computational and experimental results through crystal structure analysis

Darshini Gowda, Dheeraj Kumar, B.S. Chethan et al. · Journal of Molecular Structure · 2025 · 12 citations

Pharmacy, Chemistry, Medicinal Chemistry +16

Synthesis, biological evaluation of novel pyridine derivative as antibacterial agent: DFT, molecular docking and ADMET studies

M. Hamsaveni, Ruthu Ramachandra Hegde, Buddhadeb Sahana et al. · Journal of Molecular Structure · 2024 · 10 citations

Pharmacy, Chemistry, Medicinal Chemistry +15