NDLI: Atom-based 3D QSAR studies on novel N-β-d-xylosylindole derivatives as SGLT2 inhibitors

Content Provider	Springer Nature Link
Author	Suryanarayanan, Venkatesan Sudha, Arumugam Rajamanikandan, Sundararaj Vanajothi, Ramar Srinivasan, Pappu
Copyright Year	2012
Abstract	Sodium-dependent glucose cotransporter 2 (SGLT2) have emerged as a novel drug target for hyperglycemia, a major complication of type 2 diabetes, with a multitude of therapeutic potential for their inhibitors. A series of N-β-d-xylosylindole derivatives has been reported as SGLT2 inhibitors. Therefore, to determine the structural requisite of these SGLT2 inhibitors, 3D pharmacophore models and atom-based 3D QSAR models have been developed using the PHASE module of Schrödinger. The best six-featured pharmacophore hypothesis with two hydrogen bond acceptors, two hydrogen bond donors, one hydrophobic features, and one aromatic ring yielded a 3D QSAR model. The derived model have significant PLS values as R 2 = 0.9527, correlation coefficient of training set, and Q 2 = 0.9045, correlation coefficient of test set, indicating the model have good predictive power. The results provide detailed insights of N-β-d-xylosylindole derivatives which can afford guidance for rational drug design of novel potent SGLT2 inhibitors.
Starting Page	615
Ending Page	624
Page Count	10
File Format	PDF
ISSN	10542523
Journal	Medicinal Chemistry Research
Volume Number	22
Issue Number	2
e-ISSN	15548120
Language	English
Publisher	Springer-Verlag
Publisher Date	2012-04-21
Publisher Place	New York
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	SGLT2 N-β-d-Xylosylindole derivatives Type 2 diabetes 3D QSAR PHASE Pharmacology/Toxicology Biochemistry Cell Biology
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Pharmacology, Toxicology and Pharmaceutics

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

QSAR studies on pyrrolidine amides derivatives as DPP-IV inhibitors for type 2 diabetes

Pharmacophore modeling and 3D QSAR analysis of isothiazolidinedione derivatives as PTP1B inhibitors

In silico accounting of novel pyridazine analogues as h-PTP 1B inhibitors: pharmacophore modelling, atom-based 3D QSAR and docking studies

3D QSAR studies on 5-(2-methylbenzimidazol-1-yl)-N-alkylthiophene-2-carboxamide derivatives as P. falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors

3D-QSAR study of pyrrolidine derivatives as matrix metalloproteinase-2 inhibitors

QSAR studies for some thiazolidine-2,4-dione derivatives as PIM-2 kinase inhibitors

QSAR and docking studies of novel β-carboline derivatives as anticancer

3D-QSAR and docking study on 3-benzimidazol-2-ylhydroquinolin-2-one derivatives as VEGFR-2 tyrosine kinase inhibitors

Field- and Gaussian-based 3D-QSAR studies on barbiturate analogs as MMP-9 inhibitors

Atom-based 3D QSAR studies on novel N-β-d-xylosylindole derivatives as SGLT2 inhibitors

Similar Documents

QSAR studies on pyrrolidine amides derivatives as DPP-IV inhibitors for type 2 diabetes

Pharmacophore modeling and 3D QSAR analysis of isothiazolidinedione derivatives as PTP1B inhibitors

In silico accounting of novel pyridazine analogues as h-PTP 1B inhibitors: pharmacophore modelling, atom-based 3D QSAR and docking studies

3D QSAR studies on 5-(2-methylbenzimidazol-1-yl)-N-alkylthiophene-2-carboxamide derivatives as P. falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors

3D-QSAR study of pyrrolidine derivatives as matrix metalloproteinase-2 inhibitors

QSAR studies for some thiazolidine-2,4-dione derivatives as PIM-2 kinase inhibitors

QSAR and docking studies of novel β-carboline derivatives as anticancer

3D-QSAR and docking study on 3-benzimidazol-2-ylhydroquinolin-2-one derivatives as VEGFR-2 tyrosine kinase inhibitors

Field- and Gaussian-based 3D-QSAR studies on barbiturate analogs as MMP-9 inhibitors

Atom-based 3D QSAR studies on novel N-β-d-xylosylindole derivatives as SGLT2 inhibitors