Bhavya Gangadharappa

Molecular dynamics and simulation analysis against superoxide dismutase (SOD) target of Micrococcus luteus with secondary metabolites from Bacillus licheniformis recognized by genome mining approach

Zabin K. Bagewadi, T. M. Yunus Khan, Bhavya Gangadharappa et al. · Saudi Journal of Biological Sciences · 2023 · 100 citations · Full text

Structural insights of metallo-beta-lactamase revealed an effective way of inhibition of enzyme by natural inhibitors

Bhavya Gangadharappa, R. Sharath, Prasanna D. Revanasiddappa et al. · Journal of Biomolecular Structure and Dynamics · 2019 · 95 citations

Schiff base (Z)-4-((furan-2-ylmethylene)amino) benzenesulfonamide: Synthesis, solvent interactions through hydrogen bond, structural and spectral properties, quantum chemical modeling and biological studies

S. Manivel, Bhavya Gangadharappa, N. Elangovan et al. · Journal of Molecular Liquids · 2022 · 71 citations

Schiff Base, Heterocyclic, Biochemistry +6

Synthesis of a versatile Schiff base 4-((2-hydroxy-3,5-diiodobenzylidene)amino) benzenesulfonamide from 3,5-diiodosalicylaldehyde and sulfanilamide, structure, electronic properties, biological activity prediction and experimental antimicrobial properties

N. Elangovan, Bhavya Gangadharappa, Renjith Thomas et al. · Journal of Molecular Structure · 2021 · 39 citations

Medicinal Chemistry, Bioorganic Chemistry, Engineering +9

Study of the structural features and solvent effects using ab initio molecular dynamics and energy decomposition analysis of atogepant in water and ammonia

T. Pooventhiran, Bhavya Gangadharappa, Ola A. Abu Ali et al. · Journal of Molecular Liquids · 2022 · 23 citations

Structural Features, Chemical Engineering, Chemical Kinetics +8