Azaj Ansari

Mechanistic Insights on the <i>ortho</i>-Hydroxylation of Aromatic Compounds by Non-heme Iron Complex: A Computational Case Study on the Comparative Oxidative Ability of Ferric-Hydroperoxo and High-Valent Fe^IV═O and Fe^V═O Intermediates

Azaj Ansari, Gopalan Rajaraman · Journal of the American Chemical Society · 2013 · 144 citations

Comparison of the binding energies of approved mpox drugs and phytochemicals through molecular docking, molecular dynamics simulation, and ADMET studies: An in silico approach

Ranjan K. Mohapatra, Ahmed Mahal, Azaj Ansari et al. · Journal of Biosafety and Biosecurity · 2023 · 90 citations · Full text

Chemical Analysis, Computational Chemistry, Chemistry +18

Anticancer properties, apoptosis and catecholase mimic activities of dinuclear cobalt(II) and copper(II) Schiff base complexes

M. Naqi Ahamad, Khushboo Iman, Md Kausar Raza et al. · Bioorganic Chemistry · 2019 · 77 citations

Inorganic Chemistry, Medicinal Chemistry, Schiff Base Complexes +9

Structural investigations, Hirsfeld surface analyses, and molecular docking studies of a phenoxo-bridged binuclear Zinc(II) complex

Mohammad Azam, Prakash Kumar Sahoo, Ranjan K. Mohapatra et al. · Journal of Molecular Structure · 2021 · 47 citations

Inorganic Chemistry, Chemical Engineering, Engineering +9

Oxidation of methane by an N-bridged high-valent diiron–oxo species: electronic structure implications on the reactivity

Mursaleem Ansari, Nidhi Vyas, Azaj Ansari et al. · Dalton Transactions · 2015 · 44 citations · Full text

High-valent Iron-oxo Species, Inorganic Chemistry, Chemical Engineering +15