Discovery and characterization of dual inhibitors of human Vanin-1 and Vanin-2 enzymes through molecular docking and dynamic simulation-based approach
Muhammad Zohaib Nawaz, Syed Awais Attique, Qurat Ul Ain, Huda Ahmed Alghamdi, Muhammad Bilal, Wei Yan, Daochen Zhu
Topics & Concepts
Docking (animal)DrugLipinski's rule of fiveEnzymeChemistryComputational biologyDrug discoveryPharmacologyBiochemistryMedicineBiologyGeneIn silicoNursingComputational Drug Discovery MethodsNeurological diseases and metabolismMicrobial Metabolism and Applications