Literature DB >> 22221065

Computer-aided drug design: lead discovery and optimization.

Mingli Xiang1, Yu Cao, Wenjie Fan, Lijuan Chen, Yirong Mo.   

Abstract

Over the past decade, there have been remarkable advances in the area of computer-aided drug design (CADD), which has been applied at almost all stages in the drug discovery pipeline. The generation of initial lead compounds and the subsequent optimization aimed at improving potency and pharmacological properties are the core activities among all. The development in these aspects over the past years will be the focus of this review.

Mesh：

Substances：

Year:  2012        PMID： 22221065     DOI： 10.2174/138620712799361825

Source DB:  PubMed          Journal:  Comb Chem High Throughput Screen        ISSN： 1386-2073            Impact factor:   1.339


  8 in total

1.  Correlation between biological activity and binding energy in systems of integrin with cyclic RGD-containing binders: a QM/MM molecular dynamics study.

Authors:  Mingli Xiang; Yuchun Lin; Gu He; Lijuan Chen; Mingli Yang; Shengyong Yang; Yirong Mo
Journal:  J Mol Model       Date:  2012-06-27       Impact factor: 1.810

Review 2.  Computational drug discovery.

Authors:  Si-Sheng Ou-Yang; Jun-Yan Lu; Xiang-Qian Kong; Zhong-Jie Liang; Cheng Luo; Hualiang Jiang
Journal:  Acta Pharmacol Sin       Date:  2012-08-27       Impact factor: 6.150

3.  Anthraquinone Derivatives as Potent Inhibitors of c-Met Kinase and the Extracellular Signaling Pathway.

Authors:  Zhongjie Liang; Jing Ai; Xiao Ding; Xia Peng; Dengyou Zhang; Ruihan Zhang; Ying Wang; Fang Liu; Mingyue Zheng; Hualiang Jiang; Hong Liu; Meiyu Geng; Cheng Luo
Journal:  ACS Med Chem Lett       Date:  2013-02-25       Impact factor: 4.345

Review 4.  Advances in Applying Computer-Aided Drug Design for Neurodegenerative Diseases.

Authors:  Mootaz M Salman; Zaid Al-Obaidi; Philip Kitchen; Andrea Loreto; Roslyn M Bill; Richard Wade-Martins
Journal:  Int J Mol Sci       Date:  2021-04-28       Impact factor: 5.923

5.  In silico identification of EGFR-T790M inhibitors with novel scaffolds: start with extraction of common features.

Authors:  Mingli Xiang; Kai Lei; Wenjie Fan; Yuchun Lin; Gu He; Mingli Yang; Lijuan Chen; Yirong Mo
Journal:  Drug Des Devel Ther       Date:  2013-08-14       Impact factor: 4.162

6.  Discovery of novel inhibitors of human S-adenosylmethionine decarboxylase based on in silico high-throughput screening and a non-radioactive enzymatic assay.

Authors:  Chenzeng Liao; Yanlin Wang; Xiao Tan; Lidan Sun; Sen Liu
Journal:  Sci Rep       Date:  2015-06-01       Impact factor: 4.379

7.  Comparison of two methods forecasting binding rate of plasma protein.

Authors:  Liu Hongjiu; Hu Yanrong
Journal:  Comput Math Methods Med       Date:  2014-08-04       Impact factor: 2.238

Review 8.  Drug Discovery for Mycobacterium tuberculosis Using Structure-Based Computer-Aided Drug Design Approach.

Authors:  Murtala A Ejalonibu; Segun A Ogundare; Ahmed A Elrashedy; Morufat A Ejalonibu; Monsurat M Lawal; Ndumiso N Mhlongo; Hezekiel M Kumalo
Journal:  Int J Mol Sci       Date:  2021-12-09       Impact factor: 5.923
  8 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.