D.V. Geetha

Design-based synthesis, molecular docking analysis of an anti-inflammatory drug, and geometrical optimization and interaction energy studies of an indole acetamide derivative

Fares Hezam Al-Ostoot, D.V. Geetha, Yasser Hussein Eissa Mohammed et al. · Journal of Molecular Structure · 2019 · 48 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Synthesis, Elucidation, Hirshfeld surface analysis, and DFT calculations of 4-chloro-N-[2-(2-1H-indol-3-yl-acetylamino)-phenyl]-benzamide

D.V. Geetha, Fares Hezam Al-Ostoot, Yasser Hussein Eissa Mohammed et al. · Journal of Molecular Structure · 2018 · 31 citations

Natural Sciences, Chemistry, Materials Science +10

Structural and theoretical exploration of a multi-methoxy chalcone: Synthesis, quantum theory, electrostatics, molecular packing, DFT analysis, and in-silico anti-cancer evaluation

Fares Hezam Al-Ostoot, P. Akhileshwari, Vivek Hamse Kameshwar et al. · Heliyon · 2024 · 15 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Synthesis and comparative investigations of DFT/B3LYP, B3PW91, CAM-B3LYP and HSEH1PBE methods applied to molecular structure, spectroscopic analysis, electronic properties of a novel hydrazone having triazole and pyrazole moiety

B.N. Lakshminarayana, N.R. Sreenatha, C.L. Sharath et al. · Results in Chemistry · 2025 · 13 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17

Synthesis, structure and molecular docking analysis of an anticancer drug of N-(2-aminophenyl)-2-(2-isopropylphenoxy) acetamide

Gopal Sharma, Sumati Anthal, D.V. Geetha et al. · Molecular Crystals and Liquid Crystals · 2018 · 12 citations

Pharmacy, Chemistry, Medicinal Chemistry +15