NDLI: Binding modes of two highly potent and nontoxic inhibitors of HIV-1 integrase

Content Provider	IEEE Xplore Digital Library
Author	Zhu, H.M. Chen, W.Z. Wang, C.X.
Copyright Year	2004
Description	Author affiliation: Coll. of Life Sci. & Bioeng., Beijing Univ. of Technol., China (Zhu, H.M.; Chen, W.Z.; Wang, C.X.)
Abstract	The complex structures of Human Immunodeficiency Virus Type 1 (HIV-1) integrase binding two highly potent and nontoxic inhibitors, lithospermic acid (M/sub 5/22) and lithospermic acid B (M/sub 5/32), were obtained using docking calculations. Docking results provided detailed information of their binding modes. The binding sites of M/sub 5/22 and M/sub 5/32 were similar to the inhibitor 5-CITEP. The lowest docking energies for HIV-1 integrase binding M/sub 5/22 and M/sub 5/32 are in agreement with their corresponding lower IC/sub 50/ values. Our results on the chemical structure difference between M/sub 5/22 and M/sub 5/32 show that the carboxyl and hydroxyl groups on the side-chain of M/sub 5/32 are important chemical groups which could help to increase the effect against HIV-1 IN replication.
Starting Page	3003
Ending Page	3006
File Size	828150
Page Count	4
File Format	PDF
ISBN	0780384393
DOI	10.1109/IEMBS.2004.1403851
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2004-09-01
Publisher Place	USA
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Inhibitors Human immunodeficiency virus DNA Chemicals Educational institutions Biomedical engineering Genomics Bioinformatics In vivo In vitro M binding mode docking HIV-1 integrase inhibitor
Content Type	Text
Resource Type	Article

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1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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