In Silico 3D QSAR Analysis of New Furanones Derivatives as Antibacterial agent

Authors

  • Vidyakant Kushwaha Shambhunath Institute of pharmacy, Jhalwa, Allahabad, U. P., India-211012
  • Suresh Nair Shambhunath Institute of pharmacy, Jhalwa, Allahabad, U. P., India-211012
  • Vivek Dwivedi Shambhunath Institute of pharmacy, Jhalwa, Allahabad, U. P., India-211012
  • Raj K. Prasad Shambhunath Institute of pharmacy, Jhalwa, Allahabad, U. P., India-211012
  • Pragya Dubey Shambhunath Institute of pharmacy, Jhalwa, Allahabad, U. P., India-211012

Keywords:

3D QSAR; V-Life; Furanones derivative; Anti-bacterial activity

Abstract

Three-dimensional quantitative structure activity relationship studies were carried out on a series of 21 Furanones derivative to find out the structural requirements for anti-bacterial activity by using Molecular Design Suite (MDS) 3.0.The best predictions were obtained from the model where seventeen compounds were considered in the training set and remaining five compounds in the test set. 3D QSAR approach was developed based on principles of the k-nearest neighbor method combined with various variable selection procedures was used. The kNN-MFA approach was used to generate models for given data set and these models were used to predict the activity of test molecules.

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References

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Published

2016-06-20
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How to Cite

Vidyakant Kushwaha, Suresh Nair, Vivek Dwivedi, Raj K. Prasad, and Pragya Dubey. “In Silico 3D QSAR Analysis of New Furanones Derivatives As Antibacterial Agent”. International Journal of Pharmaceutics and Drug Analysis, vol. 4, no. 6, June 2016, pp. 300-9, https://ijpda.com/index.php/journal/article/view/232.

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