Aisha Tufail

Exploring the antimalarial, antioxidant, anti-inflammatory activities of newly synthesized transition metal(II) complexes bearing thiosemicarbazone ligands: Insights from molecular docking, DFT, MESP and ADMET studies

Binesh Kumar, Jai Devi, Amit Dubey et al. · Inorganic Chemistry Communications · 2023 · 90 citations

Natural Sciences, Medicinal Chemistry, Pharmacology +17

Investigation of antituberculosis, antimicrobial, anti-inflammatory efficacies of newly synthesized transition metal(II) complexes of hydrazone ligands: structural elucidation and theoretical studies

Binesh Kumar, Jai Devi, Amit Dubey et al. · Scientific Reports · 2023 · 88 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17

Synthesis, spectroscopic investigation, molecular docking, ADME/T toxicity predictions, and DFT study of two trendy ortho vanillin-based scaffolds

Dhrubajyoti Majumdar, Amit Dubey, Aisha Tufail et al. · Heliyon · 2023 · 75 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Yogesh Deswal, Sonika Asija, Aisha Tufail et al. · Applied Organometallic Chemistry · 2023 · 69 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

RETRACTED: Synthesis, spectroscopic findings, SEM/EDX, DFT, and single-crystal structure of Hg/Pb/Cu–SCN complexes: In silico ADME/T profiling and promising antibacterial activities

Dhrubajyoti Majumdar, Jessica Elizabeth Philip, Amit Dubey et al. · Heliyon · 2023 · 68 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17