alexa Molecular Docking of HIV-1 env gp120 Using Diterpene La
ISSN: 2161-0401

Organic Chemistry: Current Research
Open Access

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Research Article

Molecular Docking of HIV-1 env gp120 Using Diterpene Lactones from Andrographis paniculata

Kabir OO*, Abdulfatai TA and Akeem AJ
Chemistry Unit, Department of Chemical, Geological and Physical Sciences, Kwara State University, Malete, Ilorin, Nigeria
Corresponding Author : Kabir OO
Chemistry Unit
Department of Chemical
Geological and Physical Sciences
Kwara State University, Malete
PMB 1530, Ilorin, Nigeria
Tel: +2348066760669
E-mail: [email protected]
Received: August 11, 2015; Accepted: September 21, 2015; Published: September 28, 2015
Citation: Kabir OO, Abdulfatai TA, Akeem AJ (2015) Molecular Docking of HIV-1 env gp120 Using Diterpene Lactones from Andrographis paniculata. Organic Chem Curr Res 4:150. doi:10.4172/2161-0401.1000150
Copyright: © 2015 Kabir OO, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
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The search for effective drugs to treat HIV/AIDS has been the major task of most researchers since several years of its discovery. Most synthetic drugs such as Efavirenz, Tenofovir, Emtricibatine among others are employed in the antiretroviral treatment which have dangerous effects on patients. Thus, herbal medicine can be used as an alternative source of treatment for HIV positive patients as they exhibit little or no side effects when compared to synthetic drugs. This research work sought to examine whether plant diterpene lactones isolated from Andrographis paniculata exhibit anti-HIV activity using molecular docking studies. The HIV-1 env gp120 was docked by two diterpene lactones namely; andrographolide and neoandrographolide using docking tool (igemdock v2.1) after retrieving protein structure from Protein Data Bank (PDB). The result indicates that neoandrographolide is a more promising drug against HIV-1 than andrographolide due to its low interaction energy for the formation of ligand-receptor complex.


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