Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target View Full Text


Ontology type: schema:ScholarlyArticle      Open Access: True


Article Info

DATE

2015-12

AUTHORS

Shuntaro Chiba, Kazuyoshi Ikeda, Takashi Ishida, M Michael Gromiha, Y-H Taguchi, Mitsuo Iwadate, Hideaki Umeyama, Kun-Yi Hsin, Hiroaki Kitano, Kazuki Yamamoto, Nobuyoshi Sugaya, Koya Kato, Tatsuya Okuno, George Chikenji, Masahiro Mochizuki, Nobuaki Yasuo, Ryunosuke Yoshino, Keisuke Yanagisawa, Tomohiro Ban, Reiji Teramoto, Chandrasekaran Ramakrishnan, A Mary Thangakani, D Velmurugan, Philip Prathipati, Junichi Ito, Yuko Tsuchiya, Kenji Mizuguchi, Teruki Honma, Takatsugu Hirokawa, Yutaka Akiyama, Masakazu Sekijima

ABSTRACT

A search of broader range of chemical space is important for drug discovery. Different methods of computer-aided drug discovery (CADD) are known to propose compounds in different chemical spaces as hit molecules for the same target protein. This study aimed at using multiple CADD methods through open innovation to achieve a level of hit molecule diversity that is not achievable with any particular single method. We held a compound proposal contest, in which multiple research groups participated and predicted inhibitors of tyrosine-protein kinase Yes. This showed whether collective knowledge based on individual approaches helped to obtain hit compounds from a broad range of chemical space and whether the contest-based approach was effective. More... »

PAGES

17209

Identifiers

URI

http://scigraph.springernature.com/pub.10.1038/srep17209

DOI

http://dx.doi.org/10.1038/srep17209

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1007243834

PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/26607293


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