NDLI: Study on the binding mode of the integrase with DNA via steered molecular dynamics simulation

Content Provider	IEEE Xplore Digital Library
Author	Cun Xin Wang Ming Liu Ping Li Xiao Jing Cong Jian Jun Tan Wei Zu Chen
Copyright Year	2009
Description	Author affiliation: College of Life Science and Bioengineering, Beijing University of Technology, 100124 China (Cun Xin Wang; Ming Liu; Ping Li; Xiao Jing Cong; Jian Jun Tan; Wei Zu Chen)
Abstract	Human immunodeficiency virus type 1 (HIV-1) integrase (IN) is an essential enzyme in the lifecycle of this virus and also an important target for the study of anti-HIV drugs. In the current work, a model for the active site of IN and viral DNA was built by combining experimental data with the results of steered molecular dynamics simulation. The model was then taken into a series automatic molecular docking calculations with two groups of inhibitors. According to the results of molecular docking, the inhibitors of the second group share a similar binding model with those of the first group, though they have no common scaffold. The newly built model of the IN-DNA complex is helpful for our subsequent research on the design of IN inhibitors.
Starting Page	4894
Ending Page	4897
File Size	830437
Page Count	4
File Format	PDF
ISBN	9781424432967
ISSN	1557170X
DOI	10.1109/IEMBS.2009.5332821
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2009-09-03
Publisher Place	USA
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Inhibitors DNA Drugs Biochemistry Biomedical engineering USA Councils Assembly Microorganisms Automatic testing Immune system
Content Type	Text
Resource Type	Article
Subject	Signal Processing Biomedical Engineering Health Informatics Computer Vision and Pattern Recognition

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