title: Computer-aided design of negative allosteric modulators of metabotropic glutamate receptor 5 (mGluR5): Comparative molecular field analysis of aryl ether derivatives.
abstract: The metabotropic glutamate receptors (mGlu receptors) have emerged as attractive targets for number of neurological and psychiatric disorders. Recently, mGluR5 negative allosteric modulators (NAMs) have gained considerable attention in pharmacological research. Comparative molecular field analysis (CoMFA) was performed on 73 analogs of aryl ether which were reported as mGluR5 NAMs. The study produced a statistically significant model with high correlation coefficient and good predictive abilities.
authors.affiliation: Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, Texas Southern University, Houston, TX 77004, USA. Electronic address: chelliahs@tsu.edu.
authors.forename: Chelliah
authors.initials: C
authors.lastname: Selvam
authors.affiliation: Department of Biotechnology, Faculty of Engineering, Karpagam Academy of Higher Education, Coimbatore, India. Electronic address: thilagavathir@yahoo.com.
authors.forename: Ramasamy
authors.initials: R
authors.lastname: Thilagavathi
authors.affiliation: Department of Pharmaceutical Sciences, Maharshi Dayanand University, Rohtak, India.
authors.forename: Balasubramanian
authors.initials: B
authors.lastname: Narasimhan
authors.affiliation: Centre for Pharmaceutical Sciences and Natural Products, School of Basic and Applied Sciences, Central University of Punjab, Bathinda, India.
authors.forename: Pradeep
authors.initials: P
authors.lastname: Kumar
authors.affiliation: Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, Texas Southern University, Houston, TX 77004, USA.
authors.forename: Brian C
authors.initials: BC
authors.lastname: Jordan
authors.affiliation: Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, Texas Southern University, Houston, TX 77004, USA.
authors.forename: Kasturi
authors.initials: K
authors.lastname: Ranganna
mesh_terms: D000494:Allosteric Regulation; D017076:Computer-Aided Design; D004987:Ethers / Q000737:chemistry* / Q000378:metabolism; D020128:Inhibitory Concentration 50; D008968:Molecular Conformation; D011485:Protein Binding; D021281:Quantitative Structure-Activity Relationship; D064529:Receptor, Metabotropic Glutamate 5 / Q000737:chemistry* / Q000378:metabolism
chemical_list: D004987:Ethers; D064529:Receptor, Metabotropic Glutamate 5
keywords: 3-D QSAR; Aryl ethers; CoMFA; Negative allosteric modulators; mGluR5
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