Li, L.; Liu, S.; Wang, B.; Liu, F.; Xu, S.; Li, P.; Chen, Y. An Updated Review on Developing Small Molecule Kinase Inhibitors Using Computer-Aided Drug Design Approaches. Int. J. Mol. Sci.2023, 24, 13953.
Li, L.; Liu, S.; Wang, B.; Liu, F.; Xu, S.; Li, P.; Chen, Y. An Updated Review on Developing Small Molecule Kinase Inhibitors Using Computer-Aided Drug Design Approaches. Int. J. Mol. Sci. 2023, 24, 13953.
Li, L.; Liu, S.; Wang, B.; Liu, F.; Xu, S.; Li, P.; Chen, Y. An Updated Review on Developing Small Molecule Kinase Inhibitors Using Computer-Aided Drug Design Approaches. Int. J. Mol. Sci.2023, 24, 13953.
Li, L.; Liu, S.; Wang, B.; Liu, F.; Xu, S.; Li, P.; Chen, Y. An Updated Review on Developing Small Molecule Kinase Inhibitors Using Computer-Aided Drug Design Approaches. Int. J. Mol. Sci. 2023, 24, 13953.
Abstract
Small molecule kinase inhibitors (SMKIs) are one of the heightened concerns in the field of drug research and development. There are seventy-nine (up to July 2023) small molecule kinase inhibitors have been approved by FDA and hundreds kinase inhibitors candidates in clinical trials, which shed light on the treatment of some major diseases. As an important strategy of drug design, computer-aided drug design (CADD) plays an indispensable role in the discovery of SMKIs. CADD methods, such as docking, molecular dynamic, pharmacophore have been applied to the design and optimization of small molecule kinase inhibitors. In the review, we provide an overview of recent advances in CADD and SMKIs; and the application of CADD for discovery of SMKIs.
Keywords
CADD; SBDD; LBDD; kinase; small molecule kinase inhibitors
Subject
Medicine and Pharmacology, Pharmacy
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
