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Research Journal of Pharmacy and Technology
Year : 2018, Volume : 11, Issue : 9
First page : ( 3802) Last page : ( 3810)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2018.00697.2

QSAR Analysis of some N, N-diphenyl urea derivatives as CCR5 Receptor Antagonist

Vaishnav Yogesh1,*, Thakur Aloksingh1, Kaur Chanchal Deep1, Verma Shekhar2, Mishra Achal3, Jain Sanmati Kumar4, Ghode Piyush5

1Shri Rawatpurasarkar Institute of Pharmacy, Kumhari, Durg. 490042

2University College of Pharmacy, Pt Deendayal Upadhyay Memorial Health Sciences and Ayush University, Raipur, Chhattisgarh, 493661

3SSTC-SSGI-Faculty of Pharmaceutical Sciences, Bhilai (C.G.) 490020, India

4Smt. Sulochna Lakhanlal Trivedi Institute of Pharmaceutical Sciences, Guru Ghasidas Vishwavidyalaya, Koni, Bilaspur, Chhattisgarh, 495009, India

5School of Pharmacy and Technology Management, NMIMS, Shirpur Dist: Dhule (Maharashtra), 425405

*Corresponding Author E-mail: yogesh446688@gmail.com

Online published on 20 December, 2018.

Abstract

Quantitative structure-activity relationship (QSAR) has been established for 29 molecules of N, Ndiphenylureas, reported to inhibit the binding of RANTES to membranes prepared from Chinese hamster ovary (CHO) cells stably expressing recombinant human CCR5. Partial Least Square Regressions (PLSR) was used to generate the relationship between biological activity and calculated descriptors. Model with good statistical qualities was developed using the software VLIFE MDS 3.0. Validation of the model was done bycross validation, randomization, and external test set prediction. On the basis of the QSAR model, we calculated the activity and found that theexisting compounds were potent.

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Keywords

N, N-diphenylureas, CCR5, AIDS, HIV, Quantitative structure-activity relationship (QSAR), PLS (Partial least square) regression analysis.

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