Molecular Dynamics Studies of Therapeutic Liquid Mixtures and Their Binding to Mycobacteria
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Molecular dynamics simulation and docking studies on the binding properties of several anticancer drugs to human serum albumin
Disposition and transportation of anticancer drugs by human serum albumin (HSA) affects their bioavailability, distribution and elimination. In this study, the interaction of a set of anticancer drugs with HSA was investigated by molecular dynamics and molecular docking simulations. The drugs' activities were analyzed according to their docking scores, binding sites and structural descriptors. ...
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ژورنال
عنوان ژورنال: Frontiers in Pharmacology
سال: 2021
ISSN: 1663-9812
DOI: 10.3389/fphar.2021.626735