TY - JOUR
T1 - In Silicon Approach for Discovery of Chemopreventive Agents
AU - Wang, Jian
AU - Li, Wei
AU - Wang, Bo
AU - Hu, Baichun
AU - Jiang, Hailun
AU - Lai, Bate
AU - Li, Ning
AU - Cheng, Maosheng
N1 - Funding Information:
The work was financially supported by the Fund for long-term training of young teachers in Shenyang Pharmaceutical University (ZQN2015002) and Training Program Foundation for the Distinguished Young Scholars of University in Liaoning Province (LJQ2015109).
Publisher Copyright:
© 2017, Springer International Publishing AG.
PY - 2017/8/1
Y1 - 2017/8/1
N2 - Increasing insight into the area of molecular cancer biology and structural biology has resulted in the disclosure of an increasing number of chemopreventive targets, which can be exploited for rapid rational discovery of chemopreventive agents. In this article, we discuss the application of in silicon approaches including molecular docking, pharmacophore modeling, fragment-based drug design, homology modeling, and target prediction in facilitating the search and designing of chemopreventive agents. These computational strategies have shown promising potential in speeding drug discovery and is expected to contribute to intelligent chemopreventive agents.
AB - Increasing insight into the area of molecular cancer biology and structural biology has resulted in the disclosure of an increasing number of chemopreventive targets, which can be exploited for rapid rational discovery of chemopreventive agents. In this article, we discuss the application of in silicon approaches including molecular docking, pharmacophore modeling, fragment-based drug design, homology modeling, and target prediction in facilitating the search and designing of chemopreventive agents. These computational strategies have shown promising potential in speeding drug discovery and is expected to contribute to intelligent chemopreventive agents.
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U2 - 10.1007/s40495-017-0094-1
DO - 10.1007/s40495-017-0094-1
M3 - Review article
AN - SCOPUS:85025064568
VL - 3
SP - 184
EP - 195
JO - Current Pharmacology Reports
JF - Current Pharmacology Reports
SN - 2198-641X
IS - 4
ER -