P. Akhileshwari

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 · 46 citations

Combinatorial Chemistry, Medicinal Chemistry, Bioorganic Chemistry +11

Synthesis, Characterization, Hirshfeld Surface Analysis, Crystal Structure and Molecular Modeling Studies of 1-(4-(Methoxy(phenyl)methyl)-2-methylphenoxy)butan-2-one Derivative as a Novel α-Glucosidase Inhibitor

Chandra Shivanna, Shashank M. Patil, C. Mallikarjunaswamy et al. · Crystals · 2022 · 23 citations · Full text

Crystal Structure, Pharmaceutical Science, Glycobiology +20

Crystal structure elucidation, Hirshfeld surface analysis, and DFT studies of a N-benzyl-3-phenylquinoxalin-2-amine

P. Akhileshwari, Kodsara Ramachandra Kiran, M. A. Sridhar et al. · Journal of Molecular Structure · 2021 · 19 citations

Chemical Engineering, Engineering, Structure Elucidation +7

Synthesis, crystal structure characterization, Hirshfeld surface analysis, and Quantum chemical computations of Ethyl 5-(thiophene-2-carbonyl)thiazole-4-carboxylate

P. Akhileshwari, Kodsara Ramachandra Kiran, M. A. Sridhar et al. · Journal of Molecular Structure · 2021 · 18 citations

Organic Material Chemistry, Chemical Engineering, Engineering +8

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 · 14 citations · Full text