3D QSAR STUDY ON ALPHA KETO AMIDE DERIVATIVES AS GP120-CD4 INHIBITORS

Authors

  • Vinayak D. More Drug Development Sciences Research Group, Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, Maharastra, India
  • Prafulla B. Choudhari Drug Development Sciences Research Group, Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, Maharastra, India
  • Rakesh P. Dhavale Drug Development Sciences Research Group, Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, Maharastra, India
  • Swapnil D. Jadhav Drug Development Sciences Research Group, Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, Maharastra, India
  • Manish S. Bhatia Drug Development Sciences Research Group, Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, Maharastra, India

Abstract

The present communication deals with 3D QDAR analysis on series of Alpha keto amide derivatives some for the designing of new GP120-CD4 inhibitors with anti HIV activity. The four different QSAR models are generated using data set of 32 molecules as gp120-CD4 inhibitors from literature studies. The 3D QSAR result gives insights for understanding of the relationship between structural features of substituted alpha keto amide derivatives and their activities which should be useful to design newer potential anti-HIV agents.

Keywords:

Alpha keto amides, QSAR, MLR

DOI

https://doi.org/10.25004/IJPSDR.2012.040104

References

1. LaLonde J, Elban M, Courter J, Sugawara A, Soeta T, Madani N, Princiotto A, Kwon Y, Kwong P, Schön A, Freire E, Sodroski J, Smith A . III-Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening. Bio Med Chem lett. 2011; 19: 91-101.
2. Dalgleish A, Beverley P, Clapham P, Crawford D, Greaves M, Weiss R. Nature 1984; 312: 763.
3. Tran T, Adam F, Calo F, Fenwick D, Fok-Seang J, Gardner I, Hay D, Perros M, Rawal J, Middleton D, Parkinson T, Pickford C, Plats M, Randall A, Stephenson P, Vuaong H, Williams D. Design and optimisation of potent gp120-CD4 inhibitors. Bio Med Chem lett. 2009; 19: 5250-5255.
4. Wang T, Zhang Z, Wallace O, Deshpande M, Fang H, Yang Z, Zadujura L, Tweedie, D, Hunag S, Zhao F, Ranadive S, Robinson B, Gong Y, Ricarrdi K, Spicer T, Deminie C, Rose R, Wang H, Blair W, Shi P, Lin P, Colono R, Meanwell N. Med. Chem. 2003; 46: 4236.
5. Tran T, Adam F, Fenwick D, Fok-Seang J, Gardner I, Hay D, Rawal J, Middleton D, Parkinson T, Pickford C, Platts M, Randall A, Stephenson P, Vuong H, Williams D. Bio Med Chem lett. 2009; 19: 5246.

Published

01-01-2012
Statistics
Abstract Display: 239
PDF Downloads: 333
Dimension Badge

How to Cite

“3D QSAR STUDY ON ALPHA KETO AMIDE DERIVATIVES AS GP120-CD4 INHIBITORS”. International Journal of Pharmaceutical Sciences and Drug Research, vol. 4, no. 1, Jan. 2012, pp. 19-24, https://doi.org/10.25004/IJPSDR.2012.040104.

Issue

Section

Research Article

How to Cite

“3D QSAR STUDY ON ALPHA KETO AMIDE DERIVATIVES AS GP120-CD4 INHIBITORS”. International Journal of Pharmaceutical Sciences and Drug Research, vol. 4, no. 1, Jan. 2012, pp. 19-24, https://doi.org/10.25004/IJPSDR.2012.040104.