QSAR Modeling of Bisbenzofuran Compounds using 2D-Descriptors as Antimalarial Agents

Anita K; Bashirulla Shaik | Vijay K. Agrawal; Tripti Kaushal

Title:
QSAR Modeling of Bisbenzofuran Compounds using 2D-Descriptors as Antimalarial Agents

Authors:
Tripti Kaushal | Anita K | Bashirulla Shaik | Vijay K. Agrawal
DOI:
https://doi.org/10.31142/ijtsrd9497

Cite This Article :

Tripti Kaushal | Anita K | Bashirulla Shaik | Vijay K. Agrawal "QSAR Modeling of Bisbenzofuran Compounds using 2D-Descriptors as Antimalarial Agents" Published in International Journal of Trend in Scientific Research and Development (ijtsrd), ISSN: 2456-6470, Volume-2 | Issue-2, February 2018, pp.769-783, URL: https://www.ijtsrd.com/papers/ijtsrd9497.pdf

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Abstract :
In the present study we have performed Quantitative structure activity relationship (QSAR) analysis for 43bisbenzofuran derivatives to estimate the antimalarial activity using some 2D descriptors. Several significant QSAR models has been calculated for predicting the antimalarial activity (–logIC50) of these molecules by using the multiple linear regression (MLR) technique. Among the obtained QSAR models, a four parametric model was most significant having R2=0.9502. An external set was used for confirming the predictive power of the models. High correlation between experimental and predicted antimalarial activity values, was obtained in the validation approach that displayed the good modality of the derived QSAR models.

Keywords :
bisbenzofuran derivatives, antimalarial activity, 2D descriptors, QSAR, MLR

Publication Details:

Unique Identification Number : IJTSRD9497

Published In : Volume-2 | Issue-2, February 2018

Page Number(s) : 769-783

Publisher Name : IJTSRD | www.ijtsrd.com | E-ISSN 2456-6470

Copyright © 2019 by author(s) and International Journal of Trend in Scientific Research and Development Journal. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (CC BY 4.0) (http://creativecommons.org/licenses/by/4.0)

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