Sumeer Ahmed

In vitro and in vivo evaluation of the antimicrobial, antioxidant, cytotoxic, hemolytic activities and in silico POM/DFT/DNA-binding and pharmacokinetic analyses of new sulfonamide bearing thiazolidin-4-ones.

F. Almalki, S. Kawsar, T. Hadda, 2023, Journal of biomolecular structure & dynamics.

Theoretical, antioxidant, antidiabetic and in silico molecular docking and pharmacokinetics studies of heteroleptic oxovanadium(IV) complexes of thiosemicarbazone-based ligands and diclofenac.

V. Niranjan, R. Senthil Kumar, M. Berredjem, 2023, Journal of biomolecular structure & dynamics.

Efficient synthesis, crystallography study, antibacterial/antifungal activities, DFT/ADMET studies and molecular docking of novel α-aminophosphonates

K. Bacharı, S. Bouacida, M. Berredjem, 2023, Journal of Molecular Structure.

Design and synthesis of oxazepine derivatives from sulfonamide Schiff bases as antimicrobial and antioxidant agents with low cytotoxicity and hemolytic prospective

A. Kalilur Rahiman, T. Hadda, R. Dongre, 2023, Journal of Molecular Structure.

Synthesis, antimicrobial, and in silico studies of c5'-O-substituted cytidine derivatives: cinnamoylation leads to improvement of antimicrobial activity.

S. Kawsar, Mohammed Chalkha, A. R. Bhat, 2024, Nucleosides, nucleotides & nucleic acids.

Green synthesis, antibacterial and antifungal evaluation of new thiazolidine-2,4-dione derivatives: molecular dynamic simulation, POM study and identification of antitumor pharmacophore sites.

S. Kawsar, V. Niranjan, R. Dongre, 2023, Journal of biomolecular structure & dynamics.

Investigation of antimicrobial potential of nanocomposites based on functionalization of graphene oxide with zinc porphyrin complexes

G. D. Bajju, H. N. Sheikh, A. R. Bhat, 2024, Inorganica Chimica Acta.

Molecular docking, ADME-Tox, DFT and molecular dynamics simulation of butyroyl glucopyranoside derivatives against DNA gyrase inhibitors as antimicrobial agents

N. Akter, S. Kawsar, M. Ouassaf, 2024, Journal of Molecular Structure.

Acylated glucopyranosides: FTIR, NMR, FMO, MEP, molecular docking, dynamics simulation, ADMET and antimicrobial activity against bacterial and fungal pathogens

N. Akter, S. Kawsar, A. R. Bhat, 2024, Chemical Physics Impact.

In vitro anti-proliferative, and in silico ribonucleotide reductase and pharmacokinetics studies of heteroleptic silver(I), nickel(II) and copper(II) complexes of 4-methyl-3-thiosemicarbazones and ibuprofen.

D. Mahendiran, A. K. Rahiman, S. Bharathi, 2023, Journal of trace elements in medicine and biology : organ of the Society for Minerals and Trace Elements.

Design, Synthesis and Antibacterial Activity of New Isatin-Based Schiff base Derivatives: Molecular Docking, POM analysis, In silico Pharmacokinetics and Identification of Antitumor Pharmacophore sites

Khairi Mustafa Salem Fahelelbom, T. Hadda, R. Dongre, 2024, Journal of Molecular Structure.