Novel antiproliferative inhibitors from salicylamide derivatives with dipeptide moieties using 3D-QSAR, molecular docking, molecular dynamic simulation and ADMET studies
Esslali Soukaina, Nabil Al‐Zaqri, Ismail Warad, Hamza Ichou, Yassine Koubi, Farhate Guenoun, Mohammed Bouachrıne
Topics & Concepts
ChemistrySalicylamideQuantitative structure–activity relationshipMolecular dynamicsDipeptideIn silicoDocking (animal)Combinatorial chemistryMolecular descriptorStereochemistryComputational biologyComputational chemistryBiochemistryOrganic chemistryPeptideMedicineBiologyGeneNursingComputational Drug Discovery Methodsvaccines and immunoinformatics approachesCancer therapeutics and mechanisms