UGC Approved Journal no 63975(19)
New UGC Peer-Reviewed Rules

ISSN: 2349-5162 | ESTD Year : 2014
Volume 12 | Issue 10 | October 2025

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Published in:

Volume 6 Issue 6
June-2019
eISSN: 2349-5162

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Published Paper ID:
JETIR1906V80


Registration ID:
217769

Page Number

560-566

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Title

MOLECULAR MODELING STUDIES IN VARIOUS DRUGS

Abstract

Dental plaque Bio films are responsible for numerous chronic oral infections and cause a severe health burden further it cannot be eliminated, as the bacteria in the Bio films are resistant to the host’s immune defenses and antibiotics. There is a critical need to develop new strategies to control Bio film-based infections. Biofilm formation in Streptococcus mutansis promoted by major virulence factors known as glucosyltransferases (Gtfs), synthesize adhesive extracellular Polysaccharides (EPS). The current study is designed to identify novel molecules that target Gtfs, thereby inhibiting S. mutansbiofilm formation and having the potential to prevent dental caries. Structure-based virtual screening of approximately 150,000 commercially available compounds against the crystal structure of the glucosyltransferase domain of the GtfC protein from S. mutansresulted in the identification of a quinoxaline derivative,2-(methoxyphenyl)-N-(3-{[2-(4 methoxyphenyl)ethyl]imino}-1,4-dihydro-2 quinoxalinylidene)ethanamine, as a potential Gtf inhibitor. The rat model finds that the compound significantly reduced the incidence and severity of smooth and sulcal-surface caries in vivo with a concomitant reduction in the percentage of S. mutants in the animals’ dental plaque (P < 0.05).

Key Words

Bacteria, Biofilms, compounds, molecules

Cite This Article

"MOLECULAR MODELING STUDIES IN VARIOUS DRUGS", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.6, Issue 6, page no.560-566, June 2019, Available :http://www.jetir.org/papers/JETIR1906V80.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

"MOLECULAR MODELING STUDIES IN VARIOUS DRUGS", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.6, Issue 6, page no. pp560-566, June 2019, Available at : http://www.jetir.org/papers/JETIR1906V80.pdf

Publication Details

Published Paper ID: JETIR1906V80
Registration ID: 217769
Published In: Volume 6 | Issue 6 | Year June-2019
DOI (Digital Object Identifier):
Page No: 560-566
Country: Coimbatore, Tamilnadu, India .
Area: Biological Science
ISSN Number: 2349-5162
Publisher: IJ Publication


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