QSAR Study of N-((3-Benzamido-4-oxo-3,4-Dihydroquinazolin 2-yl)methyl)-N-(Substituted) Phenyl Benzamide as Antiulcer Agents
Author:
Affiliation:
1. L. M. College of Pharmacy, India
2. Dharamsinh Desai University, India
Abstract
Suppression of gastric acid secretion by use of proton pump inhibitors is an efficient way to control hyperacidity complications. An inhibitory activity of N-((3-Benzamido-4-oxo-3, 4 dihydro quinazolin -2-yl) methyl)-N-(substituted phenyl) benzamides on H+/K+-ATPase was established and reported earlier. Thus, it is significant to develop more promising agents by quantitative structure-activity relationship (QSAR) study of 37 ligands by multi-linear regression method to link the structures of molecules with inhibitory activity on H+/K+-ATPase (pIc50). QSAR model was built using genetic function approximation protocol of the software Discovery Studio Version 2.1 using training set carrying 23 compounds. The remaining 14 compounds were used as a test set. The generated model was showing satisfying statistical qualities, r2=0.84 and predicted correlation coefficient r2pred=0.88. The theoretical approach indicates that an increase in Log D, Shadow_XZ and SC 2, and reduction of Shadow_Z length causes more inhibition of enzyme by molecule.
Publisher
IGI Global
Subject
Geriatrics and Gerontology
Reference52 articles.
1. Failure of esophageal peristalsis in older patients: association with esophageal acid exposure
2. A Quantitative Structure-Activity Relationship and Molecular Modeling Study on a Series of Heteroaryl- and Heterocyclyl-Substituted Imidazo[1,2-a]Pyridine Derivatives Acting as Acid Pump Antagonists
3. Systematic review: ageing and gastro-oesophageal reflux disease symptoms, oesophageal function and reflux oesophagitis
4. Pharmacophore modeling and atom-based 3D-QSAR studies on amino derivatives of indole as potent isoprenylcysteine carboxyl methyltransferase (Icmt) inhibitors
5. Development of quantitative structure activity relationship (QSAR) model for disinfection byproduct (DBP) research: A review of methods and resources
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3