Integrating molecular docking and molecular dynamics simulation studies on the affinity and interactions of piperine with β-lactamase class A enzymes
Abdul Musawer Bayan, Sayed Hussain Mosawi, Najmeh Fani, Mohammad Sayed Behrad, Ahmad Jamshid Mehrpoor, Muhammad Younis Noori, Rafiullah Shirzadi, Ahmad Siar Popalzai, Fahim Amirkhezi
Topics & Concepts
PiperineAutoDockChemistryDocking (animal)Molecular dynamicsHydrogen bondStereochemistryEnzymeBinding energyComputational chemistryMoleculeBiochemistryOrganic chemistryGenePhysicsMedicineIn silicoNuclear physicsNursingPiperaceae Chemical and Biological StudiesAntibiotic Resistance in BacteriaPhenothiazines and Benzothiazines Synthesis and Activities