“2D, 3D QSAR and Pharmacophore Identification of Thieno[3,2-d]pyrimidines as Cholesterol inhibitors.”

Abstract

The present study reveals the 2D, 3D-QSAR analysis of Thieno[3,2-d]pyrimidine to express the biological activity against Cholesterol, structurally different ligands can fit the common receptor site, and Pharmacophore models well describe safety considerations of the said chemical entities The organic exercises of the atoms were changed over into log IC50. The measurably huge 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. 2D QSAR studies revealed that the Positive coefficient value of Quadrupole2 and Negative coefficient value of T_2_Cl_7 descriptors were major contributing descriptors. The 3D QSAR models indicate that steric and electrostatic effects primarily determine binding affinities. From the best model obtained from the QSAR analyses, some newer compounds of the same series were developed, having better activity than the earlier compounds that have been reported.