… In the present study, PCNPs were evaluated through molecular docking studies using Glide
(in silico analysis). Initially, the structures of these molecules were generated and energy …

… In this study, the molecular docking was applied to explore the binding mechanism and
to correlate its docking score with the activity of plant derived compounds. The results of our …

… Molecular Docking We performed a molecular docking study to determine the binding mode
of … The docking protocol was validated by docking the co-crystalized ligand etoposide to the …

… , as well as molecular docking. The molecular docking study of potent compounds was … ,
PDB ID: 3RCD) as a possible target for anticancer activity using Auto Dock vina. ADMET results …

… molecular structure, SAR, and molecular docking of pyrimidine-fused azole relevant
anticancer agents… -fused azoles via QSAR and docking simulation and inferred the structure …

… are used in clinical treatment as anticancer agents [19]. The natural … were reported as
anticancer agents through variable … quinoline derivatives was supported by molecular docking. …

… active molecules that possess significant bioactivities and are involved in therapeutic
drugs. As an example for these important molecules, anticancer agent enzalutamide (MDV3100, …

… -2 (PDB code: 1UOM ) by molecular docking, which was performed by simulation of the
compound into … This molecular docking result, along with the enzyme assay data, suggesting that …

… molecular docking and protein ligand interaction fingerprint studies of N-phenyl
dichloroacetamide derivatives as anticancer agents… comparative QSAR analysis, molecular …

… In an attempt to find potential anticancer agents, a series of … Molecular docking studies of all
the synthesized compounds … concentration of 100 μM with maximum docking score of −8.24. …