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)

International Journal of Science and Research (IJSR)
www.ijsr.net | Open Access | Fully Refereed | Peer Reviewed International Journal

ISSN: 2319-7064


Amazon Sale


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

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

Share this Article

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/search_index_results_paperid.php?id=SUB141000, Volume 4 Issue 2, February 2015, 1237 - 1247

67 PDF Views | 49 PDF Downloads

Download Article PDF


Amazon Sale


Similar Articles with Keyword 'QSAR'

Research Paper, Chemistry, India, Volume 2 Issue 10, October 2013

Pages: 41 - 47

QSAR Studies of Some Novel Triazines Inhibiting Dihydrofolate Reductase

Lakshmi Gangwar, Mithilesh Tiwari, S. K. Singh

Share this Article

Research Paper, Chemistry, Morocco, 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

K. Dguigui, M. Elhallaoui

Share this Article

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, Arpan Bharadwaj, Suresh Kumar Verma

Share this Article

Research Paper, Chemistry, Iran, Volume 3 Issue 11, November 2014

Pages: 2628 - 2633

QSAR Study of Diarylpyridazine Derivatives as Anti-HIV Agents Using Density Functional Theory

N. Madadi Mahani, F. Sabermahani

Share this Article

Research Paper, Chemistry, India, Volume 2 Issue 7, July 2013

Pages: 96 - 100

Quantum Chemical and Energy Descriptors Based Qsar Studies of Triazines Inhibiting Dihydrofolate Reductase

Mithilesh Tiwari, S. K. Singh, Lakshmi Gangwar

Share this Article

Similar Articles with Keyword 'MLR'

Research Paper, Chemistry, Morocco, 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

K. Dguigui, M. Elhallaoui

Share this Article

Research Paper, Chemistry, Iran, Volume 3 Issue 11, November 2014

Pages: 2628 - 2633

QSAR Study of Diarylpyridazine Derivatives as Anti-HIV Agents Using Density Functional Theory

N. Madadi Mahani, F. Sabermahani

Share this Article

Similar Articles with Keyword 'Neural Network'

Research Paper, Chemistry, Morocco, 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

K. Dguigui, M. Elhallaoui

Share this Article

Research Paper, Chemistry, India, Volume 4 Issue 7, July 2015

Pages: 1655 - 1658

Artificial Neural Network (ANN) for Stock Market Predictions

Dr. Sunil Kumar Dhal

Share this Article

Research Paper, Chemistry, Morocco, Volume 4 Issue 3, March 2015

Pages: 460 - 468

DFT-Based QSAR Studies of Some Structurally Diverse Azaaurones Derivatives as Potential Antimalarials

Hanine HADNI, Menana El Hallaoui

Share this Article
Top