Identification of bioactive phytoconstituents as promising ABL2 inhibitors using virtual screening and molecular dynamics simulation

Scientific Reports | Vol. 15 | Issue 44528 | 2025

DOI: https://doi.org/10.1038/s41598-025-28195-z

Phytochemicals as potential AXL inhibitors for cancer therapy: A computational study

Computational Biology and Chemistry | Vol. 120 | Issue 1 | 2025

DOI: https://doi.org/10.1016/j.compbiolchem.2025.108636

Thymus musilii Velen. Methanolic Extract: In Vitro and In Silico Screening of Its Antimicrobial, Antioxidant, Anti-Quorum Sensing, Antibiofilm, and Anticancer Activities

Life MDPI | Vol. 13 | Issue 1 | 2025

DOI: https://doi.org/10.1080/07391102.2023.2191719

Antioxidative and ROS-dependent apoptotic effects of Cuscuta reflexa Roxb. stem against human lung cancer: network pharmacology and in vitro experimental validation

Journal of Biomolecular Structure and Dynamics | Vol. 42 | Issue 21 | 2023

DOI: https://doi.org/10.1080/07391102.2023.2263889

Integrating network pharmacology approaches for the investigation of multi-target pharmacological mechanism of 6-shogaol against cervical cancer

Journal of Biomolecular Structure and Dynamics | Vol. 41 | Issue 23 | 2023

DOI: https://doi.org/10.1080/07391102.2023.2191719

Discovering Gummadiol and Isoarboreol as potential inhibitors of sphingosine kinase 1: virtual screening and MD simulation studies

Journal of Biomolecular Structure and Dynamics | Vol. 41 | Issue 22 | 2023

DOI: https://doi.org/10.1080/07391102.2023.2167864