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Synthesis and Molecular Docking Studies of 3-Benzylidene-8- Methoxy-6-(prop-1enyl) Chroman-4-One Based Compound against Different HIV Receptors

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Author Affiliations

  • 1Centre for Research and Development, PRIST University Thanjavur, Tamilnadu, INDIA
  • 2 Centre for Advanced computing and Bioinformatics, PRIST University Thanjavur, Tamilnadu, INDIA

Res. J. of Pharmaceutical Sci., Volume 1, Issue (3), Pages 6-9, November,30 (2012)

Abstract

The Human Immunodeficiency Virus ( HIV) infection in human since last three decades is a tremendous issue in the area of infectious diseases. Currently plant based compounds are gaining more interest now-a-days in antiretroviral therpies. HIV replication is a target for the inhibition of HIV infection. The synthesized chroman-4-one based compound recognized as a antireplicative agent. With the synthesized crystals benzene and pyrone ring plays a major role ,molecular structure of the compounds were identified by subjecting the compound to X ray diffraction studies. Anti-HIV effects have been studied by different five viral Proteins. Ligand-protein molecular docking studies using advanced docking tools and minimum binding energies were computed. Comparison was made for better choice of protein ligand interaction

References

  1. Tilkratne L.M. Sherette, A, Grossman P et al. Bioorg, Med.chem, lette, 11, 2763-3764 (2001)
  2. Kang J.G. Shin. Y. and Kim M.J. et .al, J.Antibiot,57,726-731 (2004)
  3. Saravanan B., Saravanan R.R. and Manivannan V., Synthesis and Molecular docking studies of Indole based compound (2-Methyl-1-Phenylsulfonyl-1h-Indol-3-yl) Phenylmethyl Acetate to nicotinic acetylcholine receptors, J Chem Pharma Res., 4(6), 3057-3062 (2012)
  4. Connie Y.C. Ma and Susanna W.M. et al., Evolved Neural Networks for High Throughput Anti-HIV LigandScreening, IEEE Congress on Evolutionary Computation (2006)
  5. Suresh R., Kanagam C. and Manivannan V., 3-Benzylidene-8-methoxy-6-(prop-1enyl) chroman-4-one, Acta Cryst., E63,o,4387 (2007)
  6. Sheldrick G.M., SHEX97 and SHELXL97. University of Gottingen, Germany (1997)
  7. Macindoe G., Mavridis L., Venkatraman V., Devignes M.D. and Ritchie D.W., Hex Server: an FFT-based protein docking server powered by graphics processors Nucleic Acids Research, 38, W445-W449 (2010)
  8. D.W. Ritchie, V. Venkatraman, Ultra-Fast FFT Protein Docking On Graphics Processors, Bioinformatics, 26,2398-2405 (2010)
  9. Liu J., Bartesaghi A., Borgnia M.J., Sapiro G., Subramanian S. Molecular architecture of native HIV-1 gp120 trimers., Nature,455(7209),109-13 (2008)
  10. Agniswamy J. and Shench Aniana A et. a lHIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements., Biochemistry,51(13), 2819-28 (2012)
  11. Khurana S., Powers D.B., Anderson S. and Blaber M. Crystal structure of 2, 5-diketo-D-gluconic acid reductase A complexed with NADPH at 2.1-A resolution, Proc Natl Acad Sci U S A.,95(12), 6768-73 (1998)
  12. Buzon V., Natrajan G., Schibli D., Campelo F. and Kozlov M.M., et al. Crystal Structure of HIV-1 gp41 Including Both Fusion Peptide and Membrane Proximal External Regions, PLoS Pathogen, 6(5)(2010)
  13. Chong Teoh T., Heidelberg T., Rizman-Idid M., Systematic protein-protein docking and molecular dynamics studies of HIV-1 gp120 and CD4: insights for new drug development, DARU Journal of Pharmaceutical Sciences,19(6), 469-475 (2011)
  14. Sudha Jayaraman and Kavita Shah, Comparative studies on inhibitors of HIV protease –a target for drug design, In Silico Biology,8, 0033 (2008)