UGC Approved Journal no 63975(19)

ISSN: 2349-5162 | ESTD Year : 2014
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Published in:

Volume 9 Issue 7
July-2022
eISSN: 2349-5162

UGC and ISSN approved 7.95 impact factor UGC Approved Journal no 63975

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Published Paper ID:
JETIR2207571


Registration ID:
225047

Page Number

f560-f566

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Title

2D-QSAR STUDY OF SUBSTITUTED THIOPHENE CARBOXAMIDE DERIVATIVES:AN APPROACH TO DESIGNANTI-TUBERCULAR AGENT

Abstract

QSAR studies were performed on a set of 324 analogs of 2,6-disubstituted 4,5,6,7-tetrahydrothieno[2,3-c] pyridine-3-3carboxamide and 2-substituted 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide compounds using MDS vlife science QSAR plus module by using. Multiple Linear Regression (MLR), Principal Component Regression (PCR) and Partial Least Squares (PLS) Regression methods. Among these, MLR method has shown a very promising result as compared to other two methods and a QSAR model was generated by a training set of 28 molecules with correlation coefficient (r2) of0. 8319, significant cross validated correlation coefficient (q2) of 0.7913 and F test of 43.1480. In the selected descriptors, estate contribution, SsNH2E-index, SdOE-index, T_T_N_6 and T_C_N_7 descriptors were the most important descriptors in predicting antitubercular inhibitory activity.

Key Words

Anti-tubercular activity;; Mycobacterium tuberculosis; Thiophene carboxamide derivbative; Multiple Linear Regression (MLR); Principal Component Regression (PCR); Partial Least Squares (PLS)

Cite This Article

"2D-QSAR STUDY OF SUBSTITUTED THIOPHENE CARBOXAMIDE DERIVATIVES:AN APPROACH TO DESIGNANTI-TUBERCULAR AGENT", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.9, Issue 7, page no.f560-f566, July-2022, Available :http://www.jetir.org/papers/JETIR2207571.pdf

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2349-5162 | Impact Factor 7.95 Calculate by Google Scholar

An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 7.95 Calculate by Google Scholar and Semantic Scholar | AI-Powered Research Tool, Multidisciplinary, Monthly, Multilanguage Journal Indexing in All Major Database & Metadata, Citation Generator

Cite This Article

"2D-QSAR STUDY OF SUBSTITUTED THIOPHENE CARBOXAMIDE DERIVATIVES:AN APPROACH TO DESIGNANTI-TUBERCULAR AGENT", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.9, Issue 7, page no. ppf560-f566, July-2022, Available at : http://www.jetir.org/papers/JETIR2207571.pdf

Publication Details

Published Paper ID: JETIR2207571
Registration ID: 225047
Published In: Volume 9 | Issue 7 | Year July-2022
DOI (Digital Object Identifier):
Page No: f560-f566
Country: pune, Maharashtra, India .
Area: Pharmacy
ISSN Number: 2349-5162
Publisher: IJ Publication


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