Journal
DRUG DISCOVERY TODAY
Volume 27, Issue 8, Pages 2216-2225Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.drudis.2022.04.002
Keywords
In silico; Kinase inhibitor; Drug design; Database; Server
Categories
Funding
- National Key Research and Development Program of China [2021YFD1700102]
- National Natural Science Foundation of China [32125033, 31960548]
- Program of Introducing Talents of Discipline to Universities of China (111 Program) [D20023]
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Kinases play a crucial role in cell signaling, and kinase inhibitors have significant potential as new therapeutics. In recent years, an increasing amount of computational resources have been developed to design kinase inhibitors more efficiently, providing a learning platform for nonspecialists.
Kinases have a crucial role in cell signaling and are important drug targets, given that aberrant kinase activity has been linked to most disease areas. Therefore, kinase inhibitors (KIs) have significant potential as new therapeutics. In recent years, an increasing amount of computational resources have been developed to design ideal scaffold and selective KIs more efficiently. Thus, in this review, we systematically examine the computational tools used in KI research, and discuss and compare the characteristics and limitations of these resources. Such a discussion will facilitate the design of new KIs and provide a learning platform for nonspecialists.
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