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