Theoretical Analysis of the Binding of Potential Inhibitors to Protein Kinases MK2 and MK3

• Type: Article in International Scientific Journal
• Date: 2015

Authors

Pedro M M Araujo (Author) Other; Luis Pinto da Silva (Author) Other; Joaquim C G E Esteves da Silva (Author) FCUP

Journal

Title: Medicinal Chemistry

Vol. 11

Pages: 573-579

ISSN: 1573-4064

Publisher: Bentham

Indexing

ISI Web of Knowledge - 3 Citations

Scopus - 3 Citations

Scientific classification

FOS: Medical and Health sciences > Basic medicine

Other information

Authenticus ID: P-00G-EWY

Abstract (EN): MK2 (or MAPKAPK2) was already known for its role in the inflammatory response, however recent studies indicate the involvement of this protein kinase in the DNA damage response mechanism. Within its kinase family the enzyme MK3 shows the highest identity with MK2. Here we report a theoretical study on the binding of two molecules, 05B and P4O, to the proteins MK2 and MK3. The data here obtained may shed light on the contribution of individual residues and binding site water molecules for the binding of potential inhibitors to these two kinases.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 7