Two and Three-Dimensional Quantitative Structure-Activity Relationship Analysis on A Series of Anthelmintics

Prafulla. B. Choudhari; Kundan. B. Ingale; Neela M. Bhatia; Manish. S. Bhatia; Deepak. B. Sangale; Ramesh. L  Sawant

doi:10.37285/ijddd.1.4.6

Articles

Vol. 1 No. 4 (2010): October-December 2010

Two and Three-Dimensional Quantitative Structure-Activity Relationship Analysis on A Series of Anthelmintics

Prafulla. B. Choudhari^▸^▾
Kundan. B. Ingale^▸^▾
Neela M. Bhatia^▸^▾
Manish. S. Bhatia^▸^▾
Deepak. B. Sangale^▸^▾
Ramesh. L Sawant^▸^▾

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DOI: https://doi.org/10.37285/ijddd.1.4.6
Submitted: November 25, 2024
Published: 2024-11-28

Abstract

A 2D and 3D quantitative structure activity relationship (QSAR) analysis has been performed on a data set of 29 bezothiazole derivatives as Anthelmintics. Several types of descriptors including topological, spatial, thermodynamic, information content and E-state indices have been used to derive a quantitative relationship between the Anthelmintics activity and structural properties. Statistically significant models was obtained with the descriptors The model was also tested successfully for external validation criteria. The model is not only able to predict the activity of new compounds but also explained the important regions in the molecules in quantitative manner

References

[1] Delmas, F.; Giorgio, C.; Robin, M.; Azas, N; Gasquet, M.; Detang, C.; Costa, M.; David, P.; Galy, J. Antimicrob. Agents Chemother. 2002 ,46, 2588.
[2] Sigmundová, I.; Zahradník, P.; Magdolen, P.; Bujdáková, H.; ARKIVOC, 2008, 8,183.
[3] Chavan, A.;Pai,N.; Molecules 2007,12, 2467.
[4] Kriplani, P,; Swarnkar, P,; Maheshwari, R ;Ojha, KG; EJChem.2006, 3,307.
[5] Patel, S.; Sheenivasa,G.; Jayachandran,E.; Ghose, N.; Jayarajkumar,K.; Ultra Science 2008,20,281.

Keywords

Anthelmintics
QSAR
Drug Design
descriptors

How to Cite

Choudhari, P. B., Ingale, K. B., Bhatia, N. M., Bhatia, M. S., Sangale, D. B., & Sawant, R. L. (2024). Two and Three-Dimensional Quantitative Structure-Activity Relationship Analysis on A Series of Anthelmintics . International Journal of Drug Design and Discovery, 1(4), 325–330. https://doi.org/10.37285/ijddd.1.4.6

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[1] [1] Delmas, F.; Giorgio, C.; Robin, M.; Azas, N; Gasquet, M.; Detang, C.; Costa, M.; David, P.; Galy, J. Antimicrob. Agents Chemother. 2002 ,46, 2588.

[2] [2] Sigmundová, I.; Zahradník, P.; Magdolen, P.; Bujdáková, H.; ARKIVOC, 2008, 8,183.

[3] [3] Chavan, A.;Pai,N.; Molecules 2007,12, 2467.

[4] [4] Kriplani, P,; Swarnkar, P,; Maheshwari, R ;Ojha, KG; EJChem.2006, 3,307.

[5] [5] Patel, S.; Sheenivasa,G.; Jayachandran,E.; Ghose, N.; Jayarajkumar,K.; Ultra Science 2008,20,281.