Computer-aided design of negative allosteric modulators of metabotropic glutamate receptor 5 (mGluR5): Comparative molecular field analysis of aryl ether derivatives

Simple item page
dc.contributor.authorSelvam, Chelliah
dc.contributor.authorThilagavathi, Ramasamy
dc.contributor.authorNarasimhan, Balasubramanian
dc.contributor.authorKumar, Pradeep
dc.contributor.authorJordan, Brian C.
dc.contributor.authorRanganna, Kasturi
dc.contributor.authorSelvam, C.
dc.contributor.authorThilagavathi, R.
dc.contributor.authorNarasimhan, B.
dc.contributor.authorKumar, P.
dc.contributor.authorJordan, B.C.
dc.contributor.authorRanganna, K.
dc.date.accessioned2017-08-01T05:40:22Z
dc.date.accessioned2024-08-13T12:05:38Z
dc.date.available2017-08-01T05:40:22Z
dc.date.available2024-08-13T12:05:38Z
dc.date.issued2016
dc.description.abstractThe 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. ? 2016en_US
dc.identifier.citationSelvam, C., Thilagavathi, R., Narasimhan, B., Kumar, P., Jordan, B. C., & Ranganna, K. (2016). Computer-aided design of negative allosteric modulators of metabotropic glutamate receptor 5 (mGluR5): Comparative molecular field analysis of aryl ether derivatives. Bioorganic and Medicinal Chemistry Letters, 26(4), 1140-1144. doi: 10.1016/j.bmcl.2016.01.051en_US
dc.identifier.doi10.1016/j.bmcl.2016.01.051
dc.identifier.issn0960894X
dc.identifier.urihttps://kr.cup.edu.in/handle/32116/241
dc.identifier.urlhttps://www.sciencedirect.com/science/article/pii/S0960894X16300518?via%3Dihub
dc.language.isoenen_US
dc.publisherElsevier Ltden_US
dc.subjectAlkyl Aryl Etheren_US
dc.subjectMetabotropic Receptor 5en_US
dc.subjectEther Derivativeen_US
dc.subjectMetabotropic Receptor 5en_US
dc.subjectProtein Bindingen_US
dc.subjectAllosterism Binding Siteen_US
dc.subjectChemical Structureen_US
dc.subjectComparative Molecular Field Analysisen_US
dc.subjectComputer Aided Designen_US
dc.subjectMental Diseaseen_US
dc.subjectProcess Optimizationen_US
dc.subjectQuantitative Analysisen_US
dc.subjectStatic Electricityen_US
dc.subjectStructure Activity Relationen_US
dc.subjectAllosterismen_US
dc.subjectChemistryen_US
dc.subjectComputer Aided Designen_US
dc.subjectConformationen_US
dc.subjectIc50en_US
dc.subjectMetabolismen_US
dc.subjectQuantitative Structure Activity Relationen_US
dc.subjectAllosteric Regulationen_US
dc.subjectComputer-Aided Designen_US
dc.subjectEthen_US
dc.titleComputer-aided design of negative allosteric modulators of metabotropic glutamate receptor 5 (mGluR5): Comparative molecular field analysis of aryl ether derivativesen_US
dc.title.journalBioorganic and Medicinal Chemistry Letters
dc.typeArticleen_US

Files

Original bundle

Now showing 1 - 1 of 1
Thumbnail Image
Name:
2.pdf
Size:
717.59 KB
Format:
Adobe Portable Document Format
Download

License bundle

Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
1.71 KB
Format:
Plain Text
Description:
Download

Collections

Pharmaceutical Sciences and Natural Products - Research Publications