<?xml version="1.0" encoding="utf-8"?>
<Journal>
<Journal-Info>
<name>International Journal of Pharma and Bio Sciences</name>
<website>ijpbs.net</website>
<email>editorijpbs@rediffmail.com (or) editorofijpbs@yahoo.com (or) prasmol@rediffmail.com</email>
</Journal-Info>
<article>
<article-id pub-id-type='other'>10.22376/ijpbs.2019.10.1.p1-12</article-id>
<issue_number>Volume 7 Issue 3</issue_number>
<issue_period>2016 (July - September)</issue_period>
<title>2D AND 3D QSAR USING MANUAL METHOD OF 6-BENZIMIDAZOLE DERIVATIVES, ZINC METALLOPEPTIDASE AS ACE INHIBITOR<br /> AS ANTI-HYPERTENSIVE AGENTS</title>
<abstract>Zinc metallopeptidase is a promising target for drug intervention and its inhibitors are useful in antihypertensive activity. QSAR (2D and 3D) studies were performed on a series of Benzimidazole derivatives using (VLifeMDS4.2). QSAR study performed on 35 analogues of which 26 were used in the training set and the rest 9 is considered for the test set. Multiple linear regression (MLR) methodology with stepwise (sw) forward- backward variable selection method was used for building the QSAR models. The results of the 2D-QSAR models were further compared with 3D-QSAR models generated by manual method. The statistical significant model (r2=0. 7782; F test=25. 735; q2=0. 5576; q2se=0. 6544; pred_r2=0. 5975; pred_r2 se=1. 0889) were developed using molecular design suite (VLifeMDS4. 2) these investigating the substitutional requirements for the favourable anti-hypertensive activity. 1FNO ligands are used for docking in auto dock software. These biological active docking compounds are used to treat hypertension.</abstract>
<authors>K.RAJAMATHI, M.KALIDASAN, C. N. HEMALATHA  M.VIJEY AANANDHI</authors>
<keywords>Benzimidazole derivatives, QSAR, Antihypertensive activity, 1FNO, VLifeMDS4. 2</keywords>
<pages>208-225</pages>
</article>
</Journal>
