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International Journal for Research Trends and Innovation
International Peer Reviewed & Refereed Journals, Open Access Journal
ISSN Approved Journal No: 2456-3315 | Impact factor: 8.14 | ESTD Year: 2016
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Impact Factor : 8.14
Issue per Year : 12
Volume Published : 11
Issue Published : 118
Article Submitted : 21604
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| Paper Title: | STRUCTURE-BASED VIRTUAL SCREENING, DESIGN, SYNTHESIS AND BIOLOGICAL EVALUATION OF COUMARIN-BENZOTHIAZOLE HYBRID DERIVATIVES AS INHA (ENOYL ACYL CARRIER PROTEIN REDUCTASE) INHIBITORS IN THE TREATMENT OF TUBERCULOSIS. |
| Authors Name: | Polamoni Manisha , Thota shirsha , Dr. M.vijaya bhargavi , Dr. M Sumakanth |
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IJRTI_182720
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| Published Paper Id: | IJRTI2209067 |
| Published In: | Volume 7 Issue 9, September-2022 |
| DOI: | |
| Abstract: | Benzothiazole is a privileged fused heterocyclic moiety, that possesses diverse biological activities, such as antimicrobial, antitubercular, antitumor, antimalarial, anticonvulsant, anthelmintic, analgesic, and anti-inflammatory activity, and other miscellaneous activities which makes benzothiazole an interesting molecule for the researchers to work on. In the present work, the benzothiazoles and coumarins were subjected to structure-based virtual screening against InhA inhibitor (PDB ID:4QXM). Top lead molecules were identified as HITS and subjected to molecular docking studies. By understanding their important pharmacophoric features and incorporating them into a single molecule, a series of novel compounds such as coumarin-benzothiazole hybrid derivatives were designed and their molecular properties and toxicity prediction studies were carried out to know the safety and efficacy of the title compounds by using molinspiration, OSIRIS property explorer. Six derivatives of coumarin-benzothiazole hybrid derivatives were subjected to in silico docking studies with the PDB ID:4QXM using AutoDock Vina 1.5.6 software. The newly synthesized derivatives are characterized by using IR, 1H NMR, and Mass spectral data. From the docking results, the compounds showed moderate to the good activity which was comparable to that of the standard drug Isoniazid. |
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| Cite Article: | "STRUCTURE-BASED VIRTUAL SCREENING, DESIGN, SYNTHESIS AND BIOLOGICAL EVALUATION OF COUMARIN-BENZOTHIAZOLE HYBRID DERIVATIVES AS INHA (ENOYL ACYL CARRIER PROTEIN REDUCTASE) INHIBITORS IN THE TREATMENT OF TUBERCULOSIS.", International Journal for Research Trends and Innovation (www.ijrti.org), ISSN:2455-2631, Vol.7, Issue 9, page no.513 - 522, September-2022, Available :http://www.ijrti.org/papers/IJRTI2209067.pdf |
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2456-3315 | IMPACT FACTOR: 8.14 Calculated By Google Scholar| ESTD YEAR: 2016 An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 8.14 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: IJRTI2209067
Registration ID:182720
Published In: Volume 7 Issue 9, September-2022
DOI (Digital Object Identifier):
Page No: 513 - 522 Country: Hyderabad, TELANGANA, India Research Area: Pharmacy Publisher : IJ Publication Published Paper URL : https://www.ijrti.org/viewpaperforall?paper=IJRTI2209067 Published Paper PDF: https://www.ijrti.org/papers/IJRTI2209067 |
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ISSN: 2456-3315
Impact Factor: 8.14 and ISSN APPROVED,
Journal Starting Year (ESTD) : 2016
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