In silico and saturation transfer difference NMR approaches to unravel the binding mode of an andrographolide derivative to K-Ras oncoprotein

• Main Authors: Shun, Ying Quah, Tan, Michelle Siying, Kok, Lian Ho, Abd Manan, Nizar, Gorfe, Alemayehu A., Deb, Pran Kishore, Sagineedu, Sreenivasa Rao, Stanslas, Johnson
• Format: Article
• Language: English
• Published: Future Science 2020
• Online Access: http://psasir.upm.edu.my/id/eprint/89328/1/NMR.pdf; http://psasir.upm.edu.my/id/eprint/89328/; https://www.future-science.com/doi/10.4155/fmc-2020-0104?url_ver=Z39.88-2003&rfr_id=ori%3Arid%3Acrossref.org&rfr_dat=cr_pub++0pubmed

Background: Andrographolide and its benzylidene derivatives, SRJ09 and SRJ23, potentially bind oncogenic K-Ras to exert anticancer activity. Their molecular interactions with K-Ras oncoproteins that lead to effective biological activity are of major interest. Methods & results: In silico docking...