1. In-silico docking, synthesis, structure analysis, DFT calculations, energy frameworks, and pharmacological intervention of [1, 3, 4]-thiadiazoles analogous as XO inhibitor and on multiple molecular inflammatory targets COX and LOX;Al-Ostoot;Journal of Molecular Structure,2022
2. Synthesis, characterization, DFT, docking studies and molecular dynamics of some 3-phenyl-5-furan isoxazole derivatives as anti-inflammatory and anti-ulcer agents;Pallavi;Journal of Molecular Structure,2022
3. Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3 (2H)-one;El Kalai;Journal of Molecular Structure,2021
4. Crystal structure and Hirshfeld surface analysis of 7-ethoxy-5-methyl-2-(pyridin-3-yl)-11, 12-dihydro-5, 11-methano [1, 2, 4] triazolo [1, 5-c][1, 3, 5] benzoxadiazocine;Aydemir;Acta Crystallographica Section E: Crystallographic Communications,2018
5. Synthesis, characterization, X-ray, HOMO-LUMO, MEP, FT-IR, NLO, Hirshfeld surface, ADMET, boiled-egg model properties and molecular docking studies with human cyclophilin D (CypD) of a Schiff base compound: (E)-1-(5-nitro-2-(piperidin-1-yl)phenyl)-N-(3-nitrophenyl)methanimine