International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
Since Year 2012 | Open Access | Fully Refereed | Peer Reviewed

ISSN: 2319-7064




Downloads: 113

Research Paper | Chemistry | Morocco | Volume 4 Issue 2, February 2015


3D-QSAR Modeling of Substituted Thiophene-Anthranilamides as Potent Inhibitors of Human Factor XA Using Quantum Chemical Descriptors

K. Dguigui | M. Elhallaoui


Abstract: The potent inhibitors of human factor Xa of 54 thiophene derivatives were modeled by quantitative structure-activity relationship (QSAR) using density functional theory (DFT) to generate quantum descriptors. From the pool of descriptors chosen to generate the QSAR model, four descriptors are selected by multiple linear regression MLR method with a correlation coefficient RRLM= 0, 95. The predictive ability of the proposed model was assessed using neural network RNN = 0, 98 and validated by internal leave one out cross validation RCV=0, 90.


Keywords: factors Xa inhibitor, anticoagulant, QSAR, MLR, Neural Network, Cross Validation


Edition: Volume 4 Issue 2, February 2015,


Pages: 1237 - 1247

3D-QSAR Modeling of Substituted Thiophene-Anthranilamides as Potent Inhibitors of Human Factor XA Using Quantum Chemical Descriptors


How to Cite this Article?

K. Dguigui, M. Elhallaoui, "3D-QSAR Modeling of Substituted Thiophene-Anthranilamides as Potent Inhibitors of Human Factor XA Using Quantum Chemical Descriptors", International Journal of Science and Research (IJSR), https://www.ijsr.net/get_abstract.php?paper_id=SUB141000, Volume 4 Issue 2, February 2015, 1237 - 1247, #ijsrnet

How to Share this Article?

Enter Your Email Address




Similar Articles with Keyword 'QSAR'

Downloads: 1

Research Paper, Chemistry, India, Volume 11 Issue 2, February 2022

Pages: 662 - 670

3D QSAR Analysis of a Set of Pneumocystis carinii DHFR Inhibitors through Pharmacophore Generation Approach

Ruchi Mishra

Share this Article

Downloads: 107

Research Paper, Chemistry, India, Volume 3 Issue 8, August 2014

Pages: 1116 - 1119

QSAR Modeling for Predicting Anti HIV Activity of PETT Derivatives

Megha Choure | Nameeta Bende [3] | Arpan Bharadwaj | Suresh Kumar Verma

Share this Article


Top