Anna Imojara

Spectroscopic study, Hirshfeld surface, DFT, in-silico molecular docking and ADMET studies of 2,6-bis(4-chlorophenyl)-3-isopropylpiperidin-4-one (BCIP): A potent antiviral agent

Arulraj Ramalingam, Sivakumar Sambandam, Hitler Louis et al. · Journal of Molecular Structure · 2023 · 26 citations

Pharmacy, Chemistry, Medicinal Chemistry +17

Study of new carbonitrile as an anti-muscular dystrophy agent: Crystal, vibrational spectroscopy, molecular docking, electronic and intermolecular interaction investigations by the DFT method

Arulraj Ramalingam, Chinnaraja Duraisamy, Hitler Louis et al. · Journal of Molecular Structure · 2023 · 26 citations

Natural Sciences, Chemistry, Medicinal Chemistry +14

Synthesis, Spectroscopic, DFT Study, and Molecular Modeling of Thiophene-Carbonitrile Against Enoyl-ACP Reductase Receptor

Tabe N. Ntui, Emmanuella E. Oyo-Ita, John A. Agwupuye et al. · Chemistry Africa · 2022 · 24 citations

Pharmacy, Chemistry, Medicinal Chemistry +10

Molecular simulation of Cu, Ag, and Au-decorated Molybdenum doped graphene nanoflakes as biosensor for carmustine, an anticancer drug

Chioma M. Chima, Hitler Louis, Destiny E. Charlie et al. · Materials Science in Semiconductor Processing · 2023 · 18 citations

Engineering, Chemistry, Materials Science +17

Influence of solvation on the spectral, molecular structure, and antileukemic activity of 1-benzyl-3-hydroxy-2-methylpyridin-4(1H)-one

P.I. Nkoe, Amanda‐Lee E. Manicum, Hitler Louis et al. · Journal of Molecular Liquids · 2022 · 15 citations · Full text

Natural Sciences, Medicinal Chemistry, Pharmacology +13