Theoretical Calculations and Molecular Design of Novel Quinoline Derivatives as Antibacterial Drugs

3D- QSAR, ADMET, and Molecular Docking Studies for Designing New 1,3,5-Triazine Derivatives as Anticancer Agents

3D-Molecular Modeling, Antibacterial Activity and Molecular Docking Studies of Some Imidazole Derivatives

Synthesis, In Vitro Biological Investigation, and In Silico Analysis of Pyrazole-Based Derivatives as Multi-target Agents

Electronic Structure, Global Reactivity Descriptors and Nonlinear Optical Properties of Some Novel pyrazolyl quinolinone Derivatives. DFT approach

1,8-Diaminonaphthalene-derived pharmacophore as potent anti-MRSA with dual DNA gyrase and topoisomerase IV inhibition

Electronic Structure, Spectra and Chemical Reactivity Descriptors of Some Novel Rhodanine Derivatives. Density Functional Theory Approach

Density Functional Theory (DFT) Investigation and Molecular Docking Simulation of 1, 2, 4-triazole Derivatives as Potent Inhibitors Against a Receptor (DNA Gyrase)

Synthesis, Molecular Docking Studies and ADME Properties of Some New Pyrazolo[1,5-a]pyrimidines as Antimicrobial, and Anticancer Agents

Synthesis, Electronic Structure, NLO Analysis and Antitumor Activity of Some Novel Quinolinones Derivatives: DFT Approach