Palestinian Medical and Pharmaceutical Journal Computational Design of Isatin–Sulfonamide Hybrids as Selective Carbonic Anhydrase XII Inhibitors with Anticancer Potential

Development of Pyrazole and Acyl Hydrazone Derivatives as Potential Anticancer Agents: A Combined DFT and Molecular Docking Approach

Design, synthesis and network pharmacology-integrated evaluation of benzenesulfonamides as potential Dickkopf-1 (Dkk-1)-targeting anticancer candidates

A network pharmacology analysis of compound 4d against pancreatic cancer identified 243 shared targets that converged, through protein-protein interactions and enrichment analyses, on the PI3K-AKT and receptor tyrosine kinase signalling axes, providing a system-level rationale for its anticancer potential.

Multitargeted Anticancer Activities: Cathepsin B–Carbonic Anhydrase IX/XII Inhibitors Show Enhanced Cytotoxicity Against Lung Adenocarcinoma Cells

The multi‐target inhibition of two significant cancer drug targets, cathepsin B and human carbonic anhydrase (hCA) isoforms IX and XII has been explored. The exclusive synthesis of single isomeric structure of final compounds despite two possibilities, in vitro biological studies, in silico molecular docking, DFT and A...

Quinoline clubbed triazole hybrids as VEGFR-2 targeted anticancer agents: synthesis, molecular modeling, and biological evaluation

Design, Synthesis, Antimycobacterial Evaluation, and In Silico Investigation of Benzisothiazole‐Based Hydrazide Derivatives as Potential Anti‐Tuberculosis Agents

A series of novel benzisothiazole‐based hydrazide derivatives was rationally designed, synthesized, and evaluated for their antitubercular activity. Among the synthesized compounds, derivative 8k emerged as the most potent candidate, exhibiting a minimum inhibitory concentration (MIC) of 0.25 μg/mL, along with a high s...

In silico study of thiazole-based amino coumarin derivatives with promising carbonic anhydrase inhibitory activity.

OBJECTIVE Aim: In this study, a series of novel aminocoumarin derivatives incorporating an amino-thiazole moiety were designed to evaluate their inhibitory activity against the carbonic anhydrase IX enzyme (PDB ID: 6fe0) and to explore their potential anti-neoplastic properties through molecular docking analysis. PAT...