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Molecular Docking Studies of Dolichin A and B, Pterocarpans from Horsegram (Macrotyloma uniflorum) against HIV Replication Enzymes

by L. Rufus Auxilia, T. Mowna Sundari, Rachel Regi Daniel
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International Journal of Computer Applications
Foundation of Computer Science (FCS), NY, USA
Volume 75 - Number 14
Year of Publication: 2013
Authors: L. Rufus Auxilia, T. Mowna Sundari, Rachel Regi Daniel
10.5120/13180-0802

L. Rufus Auxilia, T. Mowna Sundari, Rachel Regi Daniel . Molecular Docking Studies of Dolichin A and B, Pterocarpans from Horsegram (Macrotyloma uniflorum) against HIV Replication Enzymes. International Journal of Computer Applications. 75, 14 ( August 2013), 19-23. DOI=10.5120/13180-0802

@article{ 10.5120/13180-0802,
author = { L. Rufus Auxilia, T. Mowna Sundari, Rachel Regi Daniel },
title = { Molecular Docking Studies of Dolichin A and B, Pterocarpans from Horsegram (Macrotyloma uniflorum) against HIV Replication Enzymes },
journal = { International Journal of Computer Applications },
issue_date = { August 2013 },
volume = { 75 },
number = { 14 },
month = { August },
year = { 2013 },
issn = { 0975-8887 },
pages = { 19-23 },
numpages = {9},
url = { https://ijcaonline.org/archives/volume75/number14/13180-0802/ },
doi = { 10.5120/13180-0802 },
publisher = {Foundation of Computer Science (FCS), NY, USA},
address = {New York, USA}
}
%0 Journal Article
%1 2024-02-06T21:44:16.597126+05:30
%A L. Rufus Auxilia
%A T. Mowna Sundari
%A Rachel Regi Daniel
%T Molecular Docking Studies of Dolichin A and B, Pterocarpans from Horsegram (Macrotyloma uniflorum) against HIV Replication Enzymes
%J International Journal of Computer Applications
%@ 0975-8887
%V 75
%N 14
%P 19-23
%D 2013
%I Foundation of Computer Science (FCS), NY, USA
Abstract

Isomeric pterocarpans, Dolichin A and Dolichin B of Macrotyloma uniflorum were docked with the three replication enzymes of HIV (Reverse transcriptase, Protease, Integrase). Analysed results proved that the docking score was high for Protease with Dolichin A (-6. 6899) and Dolichin B (-6. 6944) among Reverse transcriptase and Integrase. AIDS therapies could be scrutinized and /or replaced after the successful inihibitory effect of Dolichin. This study will support the cutting edge of HIV research and drug designing to find out a less side effect causing herbal formulations.

References
  1. Abhik Seal, Riju Aykkal, Rosana O Babu and Mriganka Ghosh (2011). Docking study of HIV-1 reverse transcriptase with phytochemicals. Bioinformation. 5(10): 430–439.
  2. Al-Mawsawi, L. Q. , Fikkert, V. , Dayam, R. , Witvrouw, M. , Burke, T. R. , Jr. ,
  3. Balakrishnan M, Srivastava R. C, Mayank Pokhriyal 2010. Homology Modelling and Docking Studies of HIV Protease. Journal of Biotechnology. 9: 96-100.
  4. Borchers, C. H. , and Neamati, N. (2006) Discovery of a small-molecule HIV-1 integrase inhibitor-binding site Proceedings of National Academy of Sciences U. S. A. 103:10080–10085
  5. Brik A & wong C H,(2003) HIV-1 protease: Mechanism and Drug discovery. Organic and Biomoleculat chemistry, 1: 5-14.
  6. Chen, R. , M. Yokoyama, H. Sato, C. Reilly, and L. M. Mansky. 2005. Human immunode?ciency virus mutagenesis during antiviral therapy: impact of drug-resistant reverse transcriptase and nucleoside and nonnucleoside reverse transcriptase inhibitors on human immunode?ciency virus type 1 mutation frequencies. Journal of Virology 79:12045–12057.
  7. Cox, A. G. , and V. Nair. 2006. Novel HIV integrase inhibitors with anti-HIV activity: insights into integrase inhibition from docking studies. Antiviral Chemistry and Chemotherapy 17:343-35.
  8. Engler T. A. , LaTessa K. O. , Iyengar R. , Chai W. , Agrios K (1996). Seteroselective syntheses of substituted pterocarpans with anti-HIV activity, and 5-aza-/5-thia-pterocarpan and 2-aryl-2,3-dihydrobenzofuran analogues. Bioorganic and Medicinal Chemistry 4(10):1755-1769
  9. Huang, H. , Chopra, R. , Verdine, G. L. , and Harrison, S. C. (1998) Structure of a covalently trapped catalytic complex of HIV-1 reverse transcriptase: Implications for drug resistance. Science 282, 1669 –1675
  10. Imming P, Sinning C, Meyer A: 2006 Drugs, their targets and the nature and number of drug targets. Nature Review Drug Discovery Oct;5(10):821-34.
  11. Ingham , J. L. ,Keen , N. T. ,Markham, K. R. and Mulheirn, L. J . (1981) Dolichins A and B, Two Pterocarpans from bacteria treated leaves of Dolichos biflorus. Journal of phytochemistry 20. 807
  12. Jorgensen W. L and Duffy E. M. 2000. Prediction of Drug solubility from Monte Carlo simulations Bioorganic Medicinal Chemistry Letters 10,1155-1158.
  13. Kohl N E, Emini E A, Schleif W A, Davis L J, Davis J C(1988). Active Human Immunodeficiency virus protease is required for viral infectivity, Proceedings of the National Academy of Sciences USA, 85: 4686-4689.
  14. M. L. Barreca, A. carotti, A. carrieri, A. Chimirri, A. M. Monforte, M. Pellegrini Calace and A. Rao 1999. Comparative Molecular Field Analysis (CoMFA) and Docking Studies of Non- nucleoside HIV RT inhibitors (NNIs). Bioorganic Medicinal Chemistry 7(1999):2283-2292.
  15. Lipinski CA, Lombardo F, Dominy BM, Feeney PJ. 2001. Experimental and Computational approaches to estimate solubility and permeability in Drug Discovery and Development setting. Advance Drug Delivery Reviews 1;46(1-3) 3-26.
  16. Overington JP, Al-Lazikani B, Hopkins AL. 2006: How many drug targets are there? Nature Reviews Drug Discovery. Dec;5(12):993-6.
  17. Pata J, Stritan W G, Steven G Goldstien and Thomas A. Stiez 2004. Structure of HIV – 1 Reverse Transcriptase bound to an inhibitor active against mutant reverse transcriptases resistant to other non nucleoside inhibitors. Proceedings of the National Academy of Sciences. 101(29):10548-10553.
  18. Rajendra Kumar and Prabha Garg. 2010. Active site binding interactions of ?- Carboline derivative for HIV reverse transcriptase, protease and integrase. International journal of Drug Discovery 2(2): 51-55.
  19. Robinson, W. E. , Jr. , Reinecke, M. G. , Abdel-Malek, S. , Jia, Q. & Chow, S. A(1996) Inhibitors of HIV-1 replication that inhibit HIV integrase. Proceedings of National Academy of Sciences. USA 93, 6326–6331.
  20. Sarafianos G. Stefan, Bruno Marchand, Kalyan Das, Daniel Himmel, Michael A. Parnik, Stephen H. Hughes, and Eddy Arnold. 2010. Structure and function of HIV 1 reverse transcriptase: Molecular mechanisms of polymerization and inhibition. Journal of Molecular Biology. 23: 385(3): 693-713.
  21. Sengupta D, Verma D, Pradeep K Nair. 2007. Binding Modes, Binding Affinities, and ADME screening of HIV-1 NNRTI inhibitor Efavirnez and it analogues. Online Journal of Bioinformatics 8(1):99-114.
  22. Sengupta D, Verma D, Pradeep K Nair. 2008. Docking – MM- GB/SA and ADME screening of HIV-1 NNRTI inhibitor nevirapine and its analogues. In silico Biology, 8 ,0023.
  23. Ye XY, Ng TB. 2001 Peptides from pinto bean and red bean with sequence homology to cowpea 10- KDa protein precursor exhibit antifungal, mitogenic and HIV-1 Reverse Transcriptase – inhibitory activities. Biochemical and Biophysical Research Communication. 282:424-9.
  24. Ye XY, Ng TB. 2002. Isolation of a new cyclophilin-like protein from chickpeas with mitogenic, antifungal and anti – HIV-1 reverse transcriptase activities . Life sciences. 70: 1129-38.
  25. Ye XY, Ng TB. 2002 Delandin, a chitinase-like protein with antifungal, HIV-1 Reverse Transcriptase inhibitory activity and mitogenic activities from the rice bean Delandia umbellate. Protein Expression and Purification. 24: 524-9.
Index Terms

Computer Science
Information Sciences

Keywords

Macrotyloma uniflorum Dolichin A and Dolichin B AIDS Docking

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