J
Jianlong Peng
Researcher at Chinese Academy of Sciences
Publications - 10
Citations - 515
Jianlong Peng is an academic researcher from Chinese Academy of Sciences. The author has contributed to research in topics: Virtual screening & Docking (molecular). The author has an hindex of 9, co-authored 10 publications receiving 386 citations. Previous affiliations of Jianlong Peng include East China University of Science and Technology.
Papers
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Journal ArticleDOI
In silico ADME/T modelling for rational drug design
Yulan Wang,Jing Xing,Yuan Xu,Nannan Zhou,Jianlong Peng,Zhaoping Xiong,Xian Liu,Xiaomin Luo,Cheng Luo,Kaixian Chen,Mingyue Zheng,Hualiang Jiang +11 more
TL;DR: The development of in silico models for some physicochemical parameters, ADME properties and toxicity evaluation, with an emphasis on the modelling approaches thereof, their application in drug discovery, and the potential merits or deficiencies of these models are introduced.
Journal ArticleDOI
Identifying novel selective non-nucleoside DNA methyltransferase 1 inhibitors through docking-based virtual screening.
Shijie Chen,Yulan Wang,Wen Zhou,Shanshan Li,Jianlong Peng,Zhe Shi,Junchi Hu,Yu-Chih Liu,Hong Ding,Yijyun Lin,Linjuan Li,Linjuan Li,Sufang Cheng,Jingqiu Liu,Tao Lu,Hualiang Jiang,Hualiang Jiang,Bo Liu,Mingyue Zheng,Cheng Luo +19 more
TL;DR: A novel DNMT1 inhibitor is identified by combining docking-based virtual screening with biochemical analyses and similarity-based analog searching, and compounds DC_501 and DC_517 were found to be more potent than DC_05, which significantly inhibited cancer cell proliferation.
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In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion.
Xian Liu,Yuan Xu,Shanshan Li,Yulan Wang,Jianlong Peng,Cheng Luo,Xiaomin Luo,Mingyue Zheng,Kaixian Chen,Kaixian Chen,Hualiang Jiang,Hualiang Jiang +11 more
TL;DR: The promising results suggest that the proposed ligand-based target fishing approach is useful for not only finding promiscuous drugs for their new usages, but also predicting some important toxic liabilities.
Journal ArticleDOI
TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds
Xian Liu,Yuan Gao,Jianlong Peng,Yuan Xu,Yulan Wang,Nannan Zhou,Jing Xing,Xiaomin Luo,Hualiang Jiang,Mingyue Zheng +9 more
TL;DR: This work introduces an online implementation of a recently published computational model for target prediction, TarPred, based on a reference library containing 533 individual targets with 179 807 active ligands, and provides the top ranked 30 interacting targets.
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Estimation of acute oral toxicity in rat using local lazy learning.
Jing Lu,Jing Lu,Jianlong Peng,Jinan Wang,Qiancheng Shen,Yi Bi,Likun Gong,Mingyue Zheng,Xiaomin Luo,Weiliang Zhu,Hualiang Jiang,Hualiang Jiang,Hualiang Jiang,Kaixian Chen,Kaixian Chen +14 more
TL;DR: A consensus model based on the predicted values of individual LLL models of LD50 is developed, yielding correlation coefficients R2 of 0.712 on a test set containing 2,896 compounds.