Literature DB >> 17441905

Targeting HIV-1 through molecular modeling and docking studies of CXCR4: leads for therapeutic development.

Shailza Singh1, B K Malik, D K Sharma.   

Abstract

The chemokine receptor CXCR4 is the receptor for several chemokines and major co-receptor for X4 human immunodeficiency virus type-1 strains entry into cell. A three-dimensional model of human CXCR4 was developed by homology modeling using the high-resolution bovine rhodopsin structure as template. Interactions between CXCR4 and flavonoids were investigated using in silico docking studies. The results underscore the potential of these compounds that they may become important new antiviral drugs to combat AIDS. It is worth mentioning also that apart from these existing flavonoids, there are many new compounds that may also be useful as topical agents to inactivate virus, or may act as adjuvants with other antiviral drugs.

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Year:  2007        PMID： 17441905     DOI： 10.1111/j.1747-0285.2007.00478.x

Source DB:  PubMed          Journal:  Chem Biol Drug Des        ISSN： 1747-0277            Impact factor:   2.817


  9 in total

1.  14-O-Heterocyclic-substituted naltrexone derivatives as non-peptide mu opioid receptor selective antagonists: design, synthesis, and biological studies.

Authors:  Guo Li; Lindsey C K Aschenbach; Hengjun He; Dana E Selley; Yan Zhang
Journal:  Bioorg Med Chem Lett       Date:  2008-12-29       Impact factor: 2.823

Review 2.  Anti-HIV drug development through computational methods.

Authors:  Wan-Gang Gu; Xuan Zhang; Jun-Fa Yuan
Journal:  AAPS J       Date:  2014-04-24       Impact factor: 4.009

Review 3.  Computational methods for de novo protein design and its applications to the human immunodeficiency virus 1, purine nucleoside phosphorylase, ubiquitin specific protease 7, and histone demethylases.

Authors:  M L Bellows; C A Floudas
Journal:  Curr Drug Targets       Date:  2010-03       Impact factor: 3.465

4.  CXCL12/CXCR4 display an inverse mRNA expression profile in gastric carcinoma that correlates with tumor progression.

Authors:  Claudia Rubie; Anne Kauffels; Kathrin Kölsch; Mathias Glanemann; Christoph Justinger
Journal:  Oncol Lett       Date:  2015-10-30       Impact factor: 2.967

5.  Comparative docking study of anibamine as the first natural product CCR5 antagonist in CCR5 homology models.

Authors:  Guo Li; Kendra M Haney; Glen E Kellogg; Yan Zhang
Journal:  J Chem Inf Model       Date:  2009-01       Impact factor: 4.956

6.  CXC receptor-4 mRNA silencing abrogates CXCL12-induced migration of colorectal cancer cells.

Authors:  Claudia Rubie; Vilma O Frick; Pirus Ghadjar; Mathias Wagner; Christoph Justinger; Sabrina K Faust; Benjamin Vicinus; Stefan Gräber; Otto Kollmar; Martin K Schilling
Journal:  J Transl Med       Date:  2011-02-24       Impact factor: 5.531

7.  An Agonist of the CXCR4 Receptor Strongly Promotes Regeneration of Degenerated Motor Axon Terminals.

Authors:  Samuele Negro; Giulia Zanetti; Andrea Mattarei; Alice Valentini; Aram Megighian; Giulia Tombesi; Alessandro Zugno; Valentina Dianin; Marco Pirazzini; Silvia Fillo; Florigio Lista; Michela Rigoni; Cesare Montecucco
Journal:  Cells       Date:  2019-09-30       Impact factor: 6.600

8.  Interactions of selected cardiovascular active natural compounds with CXCR4 and CXCR7 receptors: a molecular docking, molecular dynamics, and pharmacokinetic/toxicity prediction study.

Authors:  Hussam Aly Sayed Murad; Thamer Mohammed Ahmed Alqurashi; Mostafa Aly Hussien
Journal:  BMC Complement Med Ther       Date:  2022-02-04

9.  Discovery and characterization of novel small-molecule CXCR4 receptor agonists and antagonists.

Authors:  Rama K Mishra; Andrew K Shum; Leonidas C Platanias; Richard J Miller; Gary E Schiltz
Journal:  Sci Rep       Date:  2016-07-26       Impact factor: 4.379
  9 in total

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