<?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 1 Issue 4</issue_number>
<issue_period>2010 (October - December)</issue_period>
<title>QSAR, ADME And QSTR Studies Of Some Synthesized Anti-Cancer 2-Indolinone Derivatives</title>
<abstract>The present study explores the utility of Quantitative Structure Activity Relationship (QSAR), in- silico ADME studies and Quantitative Structure Toxicity Relationship (QSTR) for the established 2indolinone Lamotrigine Schiff base derivatives. Here, we developed 2D QSAR models for (n=6) 2indolinone Lamotrigine Schiff base derivatives as cytotoxic agents using the CTC50 values of these compounds obtained by using MTT and SRB bioassay procedure for HEp-2 and DLA cell lines. Multiple regression equations developed using the calculated physicochemical parameters showed that for HEp-2 cell lines, SRB bioassay procedure gave a better correlation between Van der Waals energy, shape flexibility index, surface area and anti-cancer activity (r2 greaterThan 0.95). Similarly for DLA cell lines, MTT bioassay gave better correlation between HOMO (Highest Occupied Molecular Orbital), LogP, molecular refractivity and anti-cancer activity (r2 greaterThan 0.99). Also, the in-silico ADME and QSTR evaluation showed that structural features of 5a compound had better pharmacokinetic and toxicity profile. </abstract>
<authors>Ankit K. Rochani,B. V. Suma,Surendar Kumar,Judy Jays,V. Madhavan</authors>
<keywords>QSAR, pharmacokinetic properties, QSTR 4-quinolone, Isatin, Quinolones. </keywords>
<pages>208-218</pages>
</article>
</Journal>
