Options
Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target
Date Issued
26-11-2015
Author(s)
Chiba, Shuntaro
Ikeda, Kazuyoshi
Ishida, Takashi
Indian Institute of Technology, Madras
Taguchi, Y. H.
Iwadate, Mitsuo
Umeyama, Hideaki
Hsin, Kun Yi
Kitano, Hiroaki
Yamamoto, Kazuki
Sugaya, Nobuyoshi
Kato, Koya
Okuno, Tatsuya
Chikenji, George
Mochizuki, Masahiro
Yasuo, Nobuaki
Yoshino, Ryunosuke
Yanagisawa, Keisuke
Ban, Tomohiro
Teramoto, Reiji
Ramakrishnan, Chandrasekaran
Thangakani, A. Mary
Velmurugan, D.
Prathipati, Philip
Ito, Junichi
Tsuchiya, Yuko
Mizuguchi, Kenji
Honma, Teruki
Hirokawa, Takatsugu
Akiyama, Yutaka
Sekijima, Masakazu
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.
Volume
5