International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
www.ijsr.net | Most Trusted Research Journal Since Year 2012

ISSN: 2319-7064

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

QSAR Studies of Some Novel Triazines Inhibiting Dihydrofolate Reductase

Lakshmi Gangwar, Mithilesh Tiwari, S. K. Singh

In this paper the Multi-linear regression analysis has been applied for QSAR study. The relationship has been worked out between the Log 1/C values of a series of compounds and certain quantum chemical and energy descriptors. The QSAR studies of Triazines inhibiting dihydrofolate reductase based on quantum chemical and energy descriptors shows that among all the 28 QSAR models PA51 to PA 78, the number of good QSAR models is 08 whose regression coefficient is greater than 0.7. In all the best 08 QSAR models, heat of formation is common. It means the best descriptor to predict the activities are the heat of formation. Also, the predicted activity obtained by taking heat of formation as single descriptor possesses the good value of regression coefficient which is 0.738250.

Keywords: QSAR, descriptors, triazines, dihydrofolate reductase, steric energy, heat of formation

Edition: Volume 2 Issue 10, October 2013

Pages: 41 - 47


How to Cite this Article?

Lakshmi Gangwar, Mithilesh Tiwari, S. K. Singh, "QSAR Studies of Some Novel Triazines Inhibiting Dihydrofolate Reductase", International Journal of Science and Research (IJSR), https://www.ijsr.net/search_index_results_paperid.php?id=28091313, Volume 2 Issue 10, October 2013, 41 - 47

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

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Lakshmi Gangwar, Mithilesh Tiwari, S. K. Singh

Share this article

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

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

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QSAR Studies of Some Novel Triazines Inhibiting Dihydrofolate Reductase

Lakshmi Gangwar, Mithilesh Tiwari, S. K. Singh

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

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

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QSAR Studies of Some Novel Triazines Inhibiting Dihydrofolate Reductase

Lakshmi Gangwar, Mithilesh Tiwari, S. K. Singh

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

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

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QSAR Studies of Some Novel Triazines Inhibiting Dihydrofolate Reductase

Lakshmi Gangwar, Mithilesh Tiwari, S. K. Singh

Share this article

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

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

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