A QSAR Study using GA-PLS on anti-HIV-1 Small Molecules Targeting Cyclophilin A
The discovery of the fact that Gag capsid (CA)protein of Human immunodeficiency virus type 1 (HTV1) interacts with host proteins such as cyclophilin a (CypA) is capable of providing us a new target to develop anti-HIV-1 drugs. Since the complex formations between CypA and CA can be inhibited by an immunosuppressive drug cyclosporine A (CsA), some non-immunosuppressive CsA like compounds might be candidates for new class argents of anti-HIV/AIDs treatment. However, the anti-HIV activities of most small molecules designed to alternate CsA still remain to be confirmed by viral experiments. We thus constructed QSAR models using GA-PLS method, and these models might be helpful to classify the unchecked compounds and also might provide us some new ideas on designing de novo molecule.
QSAR GA-PLS HIV-1 cyclophilin A docking study
Tian Yushi Norihito Kawashita Rie Kashiwada Hiromasa Sugimoto Terao Yasunaga Kousuke Okamoto Tatsuya Takagi
Graduate School of Pharmaceutical Sciences, Osaka University,Osaka 565-0871, Japan Graduate School of Pharmaceutical Sciences, Osaka University,Osaka 565-0871, Japan Research Institut Research Institute for Microbial Diseases, Osaka University,Osaka 565-0871, Japan
国际会议
The 6th International Conference on Partial Least Squares and Related Methods(第六届偏最小二乘及相关方法国际会议)
北京
英文
334-337
2009-09-04（万方平台首次上网日期，不代表论文的发表时间）