Evaluation of the effect of the chiral centers of Taxol on binding to ?-tubulin: A docking and molecular dynamics simulation study
Binding properties of Taxol derivatives with ?-tubulin have been investigated. Docking and MD simulation studies have been done. MM-GBSA calculations have been carried out. Two of the structures have better affinity toward the ?-tubulin. Three of the structures have affinity similar to that of the Taxol.
chiral centers taxol ?-tubulin paclitaxel molecular docking molecular dynamics (md) simulation