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INTERNATIONAL JOURNAL OF NOVEL RESEARCH AND DEVELOPMENT International Peer Reviewed & Refereed Journals, Open Access Journal ISSN Approved Journal No: 2456-4184 | Impact factor: 8.76 | ESTD Year: 2016 Scholarly open access journals, Peer-reviewed, and Refereed Journals, Impact factor 8.76 (Calculate by google scholar and Semantic Scholar | AI-Powered Research Tool) , Multidisciplinary, Monthly, Indexing in all major database & Metadata, Citation Generator, Digital Object Identifier(DOI) |
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| Paper Title: | IN-SILICO DESIGN AND DOCKING STUDIES OF NOVEL 5-FURFURYLIDENE THIAZOLIDIN-4-ONE DERIVATIVES OF 2-(1H-BENZOTRIAZOL-1- YL) ACETOHYDRAZIDE |
| Authors Name: | NEETHU M.S , Dr. ANOOPA J L |
| Download E-Certificate: | Download |
| Author Reg. ID: |
IJNRD_192593
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| Published Paper Id: | IJNRD2304559 |
| Published In: | Volume 8 Issue 4, April-2023 |
| DOI: | |
| Abstract: | One of the primary causes of death worldwide is infection brought on by bacteria. A significant issue is posed by the limited number of antibiotics that are available for the treatment of illnesses and the ongoing emergence of antimicrobial agent resistance. So, the development of novel and effective antimicrobial drugs may be the only means to address the issue of resistance and create a successful treatment for infectious diseases. 4-Thiazolidinones have recently been reported to be novel inhibitors of the bacterial enzyme Mur B and also to block some pathogenic mechanisms of bacteria . In the present work, different novel Furfurylidene Thiazolidin-4-One derivatives of 2-(1H-benzotriazol-1-yl) acetohydrazide were designed using ACD Lab Chemsketch12.0 and their properties were predicted using the molinspiration software. The designed leads having required physicochemical properties, drug – likeness and obeying the Lipinski Rule of Five were selected for docking studies via Biovia Discovery Studio.Compounds 3i, 3b and 3h showed excellent activities on UDP-N-acetylenol pyruvyl glucosamine reductase enzyme (Mur B) and compounds 3i, 3b and 3j showed excellent activities on 14 α - Demethylase enzyme. Molecular docking studies were done to assess the binding mode and interactions of designed leads to hits at the binding site of the receptors. Results of in-silico studies showed that most of the compound have excellent drug likeness properties and pharmacokinetic profile. Here in we concluded that Furfurylidene Thiazolidin-4-One derivatives of 2-(1H-benzotriazol-1-yl) acetohydrazide could be considered as promising scaffolds towards the development of novel antibacterial and antifungal agents |
| Keywords: | Benzotriazole, Thiazolidinone, Furfural, Antibacterial activity, Antifungal activity, In- silico studies, Biovia Discovery Studio. |
| Cite Article: | "IN-SILICO DESIGN AND DOCKING STUDIES OF NOVEL 5-FURFURYLIDENE THIAZOLIDIN-4-ONE DERIVATIVES OF 2-(1H-BENZOTRIAZOL-1- YL) ACETOHYDRAZIDE", International Journal of Novel Research and Development (www.ijnrd.org), ISSN:2456-4184, Vol.8, Issue 4, page no.f506-f525, April-2023, Available :http://www.ijnrd.org/papers/IJNRD2304559.pdf |
| Downloads: | 000118753 |
| ISSN: |
2456-4184 | IMPACT FACTOR: 8.76 Calculated By Google Scholar| ESTD YEAR: 2016 An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 8.76 Calculate by Google Scholar and Semantic Scholar | AI-Powered Research Tool, Multidisciplinary, Monthly, Multilanguage Journal Indexing in All Major Database & Metadata, Citation Generator |
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Published Paper ID:IJNRD2304559 Registration ID: 192593 Published In: Volume 8 Issue 4, April-2023 DOI (Digital Object Identifier): Page No: f506-f525 Country: THIRUVANANTHAPURAM, KERALA, India Research Area: Chemistry Publisher : IJ Publication Published Paper URL : https://www.ijnrd.org/viewpaperforall?paper=IJNRD2304559 Published Paper PDF: https://www.ijnrd.org/papers/IJNRD2304559 |
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ISSN: 2456-4184
Impact Factor: 8.76 and ISSN APPROVED
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