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

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


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

https://doi.org/10.31142/ijtsrd9497



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

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.

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


IJTSRD9497
Volume-2 | Issue-2, February 2018
769-783
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)

International Journal of Trend in Scientific Research and Development - IJTSRD having online ISSN 2456-6470. IJTSRD is a leading Open Access, Peer-Reviewed International Journal which provides rapid publication of your research articles and aims to promote the theory and practice along with knowledge sharing between researchers, developers, engineers, students, and practitioners working in and around the world in many areas like Sciences, Technology, Innovation, Engineering, Agriculture, Management and many more and it is recommended by all Universities, review articles and short communications in all subjects. IJTSRD running an International Journal who are proving quality publication of peer reviewed and refereed international journals from diverse fields that emphasizes new research, development and their applications. IJTSRD provides an online access to exchange your research work, technical notes & surveying results among professionals throughout the world in e-journals. IJTSRD is a fastest growing and dynamic professional organization. The aim of this organization is to provide access not only to world class research resources, but through its professionals aim to bring in a significant transformation in the real of open access journals and online publishing.

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