Title:“2D, 3D QSAR and Pharmacophore Identification of Thieno[3,2-d]pyrimidines
as Cholesterol inhibitors”
Volume: 2
Author(s): Rakesh D. Amrutkar*Kishor S Jain
Affiliation:
- Department of Pharmaceutical Chemistry, K. K. Wagh College of Pharmacy, Nashik, Maharashtra, India
Keywords:
Thieno[3, 2-d]pyrimidine, Pharmacokinetics, Toxicity, QSAR, Pharmacophore identification, Cholesterol inhibitors.
Abstract:
Introduction:
The present study reveals the 2D, 3D-QSAR analysis of Thieno[3,2-d]pyrimidine to expressed the biological activity against Cholesterol,
structurally different ligands can fit to common receptor site and safety consideration of the said chemical entities are good describe by
Pharmacophore models.
Methods:
The organic exercises of the atoms were changed over into log IC50. The measurably significant of 2D-QSAR and 3D QSAR models are r2 = 0
.9762, q2 = 0.9379 and internal (q2 = 0.8837) and external (predictive r2 = 0.9162) respectively.
Results:
2D QSAR studies revealed that Positive coefficient value of Quadrupole2 and Negative coefficient value of T_2_Cl_7 descriptors were major
contributing descriptor. The 3D QSAR models indicates that steric and electrostatic effects primarily find out the binding affinities.
Conclusion:
The best model obtained from the QSAR analysis, some newer compounds of same series were developed having the good activity than the earlier
compounds have been reported.
