… of covalent or non-covalent inhibition, it is always riddled confusion, despite their advantages
and disadvantages. From a molecular modeling and drug design perspective, we see that …

… and widely applied approach in molecular simulation consists of using a set of molecules to
derive … It was seen that the inhibitor was an ATP competitive molecule that bound in the ATP …

… molecular modelling approach was used to overcome this obstacle [43]. The structure of the
enzyme was solved with an inhibitor … inhibitors are developed, and we predict that molecular …

… approach consisting of inhibition kinetics, multi-spectroscopic methods and molecular modelling
… As a result, salvianolic acid C showed a potent α-glucosidase inhibitory activity with IC …

… expose the agonist or inhibitory activity of the ligand binding either to the active site or inhibitory
site of the … This approach ensures that the ligand or small molecule of interest is modified …

… In the drug design process, the design of potent enzyme inhibitors is a crucial step … enzymes
in many pathological conditions, the strategy used for the development of enzyme inhibitors, …

… Our results, together with multiple molecular modelling … non-competitive inhibitor, induces
significant enzyme rigidity by … one of the functional enzymatic collective motions associated to …

… inhibitors, molecular modeling strategies have become a supporting component in drug design.
The crystal structure of AChE and BChE enzymes … From a pharmacological point of view, …

… molecular modelling … inhibitors (both reversible and irreversible). We now seek to apply the
substrate-heme complex and molecular modelling approach to provide a new perspective on …

… of inhibition, enzyme kinetics studies were undertaken. In order to explore the influence of
molecular rigidity on AChE inhibitory activity … We also performed molecular docking studies on …