Design, synthesis, antimicrobial activity and computational studies of novel azo linked substituted benzimidazole, benzoxazole and benzothiazole derivatives
[Display omitted] Novel azo linked substituted benzimidazole, benzoxazole, and benzothiazole were synthesized by diazo coupling and characterized by 1H NMR, elemental analysis, FTIR and UV–vis spectroscopy. The newly synthesized compounds were evaluated for invitro antibacterial activity against Sta...
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| Published in | Computational biology and chemistry Vol. 78; pp. 330 - 337 |
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| Main Authors | , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
England
Elsevier Ltd
01.02.2019
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| Subjects | |
| Online Access | Get full text |
| ISSN | 1476-9271 1476-928X 1476-928X |
| DOI | 10.1016/j.compbiolchem.2019.01.003 |
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| Abstract | [Display omitted]
Novel azo linked substituted benzimidazole, benzoxazole, and benzothiazole were synthesized by diazo coupling and characterized by 1H NMR, elemental analysis, FTIR and UV–vis spectroscopy. The newly synthesized compounds were evaluated for invitro antibacterial activity against Staphylococcus aureus and Escherichia Coli strains by Resazurin microtiter assay method (REMA). The minimum inhibitory concentration (MIC in μg/mL) were used to express the antibacterial activities. The azo linked compounds exhibited good to moderate or high antibacterial activities in vitro. Computational studies were performed to correlate HOMO-LUMO gap with antibacterial activity. The comparative molecular docking studies revealed better insights into binding mechanisms. |
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| AbstractList | Novel azo linked substituted benzimidazole, benzoxazole, and benzothiazole were synthesized by diazo coupling and characterized by 1H NMR, elemental analysis, FTIR and UV-vis spectroscopy. The newly synthesized compounds were evaluated for invitro antibacterial activity against Staphylococcus aureus and Escherichia Coli strains by Resazurin microtiter assay method (REMA). The minimum inhibitory concentration (MIC in μg/mL) were used to express the antibacterial activities. The azo linked compounds exhibited good to moderate or high antibacterial activities in vitro. Computational studies were performed to correlate HOMO-LUMO gap with antibacterial activity. The comparative molecular docking studies revealed better insights into binding mechanisms.Novel azo linked substituted benzimidazole, benzoxazole, and benzothiazole were synthesized by diazo coupling and characterized by 1H NMR, elemental analysis, FTIR and UV-vis spectroscopy. The newly synthesized compounds were evaluated for invitro antibacterial activity against Staphylococcus aureus and Escherichia Coli strains by Resazurin microtiter assay method (REMA). The minimum inhibitory concentration (MIC in μg/mL) were used to express the antibacterial activities. The azo linked compounds exhibited good to moderate or high antibacterial activities in vitro. Computational studies were performed to correlate HOMO-LUMO gap with antibacterial activity. The comparative molecular docking studies revealed better insights into binding mechanisms. [Display omitted] Novel azo linked substituted benzimidazole, benzoxazole, and benzothiazole were synthesized by diazo coupling and characterized by 1H NMR, elemental analysis, FTIR and UV–vis spectroscopy. The newly synthesized compounds were evaluated for invitro antibacterial activity against Staphylococcus aureus and Escherichia Coli strains by Resazurin microtiter assay method (REMA). The minimum inhibitory concentration (MIC in μg/mL) were used to express the antibacterial activities. The azo linked compounds exhibited good to moderate or high antibacterial activities in vitro. Computational studies were performed to correlate HOMO-LUMO gap with antibacterial activity. The comparative molecular docking studies revealed better insights into binding mechanisms. Novel azo linked substituted benzimidazole, benzoxazole, and benzothiazole were synthesized by diazo coupling and characterized by H NMR, elemental analysis, FTIR and UV-vis spectroscopy. The newly synthesized compounds were evaluated for invitro antibacterial activity against Staphylococcus aureus and Escherichia Coli strains by Resazurin microtiter assay method (REMA). The minimum inhibitory concentration (MIC in μg/mL) were used to express the antibacterial activities. The azo linked compounds exhibited good to moderate or high antibacterial activities in vitro. Computational studies were performed to correlate HOMO-LUMO gap with antibacterial activity. The comparative molecular docking studies revealed better insights into binding mechanisms. |
| Author | Sekar, Nagaiyan Mishra, Virendra R. Qureshi, Shahnawaz I. Mali, Suraj N. Ghanavatkar, Chaitannya W. Chaudhari, Hemchandra K. |
| Author_xml | – sequence: 1 givenname: Virendra R. orcidid: 0000-0003-0070-4705 surname: Mishra fullname: Mishra, Virendra R. organization: Department of Dyestuff Technology, Institute of Chemical Technology, Matunga (E), Mumbai, Maharashtra, 400 019, India – sequence: 2 givenname: Chaitannya W. orcidid: 0000-0003-0821-1083 surname: Ghanavatkar fullname: Ghanavatkar, Chaitannya W. organization: Department of Dyestuff Technology, Institute of Chemical Technology, Matunga (E), Mumbai, Maharashtra, 400 019, India – sequence: 3 givenname: Suraj N. orcidid: 0000-0003-1995-136X surname: Mali fullname: Mali, Suraj N. organization: Department of Pharmaceutical Sciences and Technology, Institute of Chemical Technology, Matunga (E), Mumbai, Maharashtra, 400 019, India – sequence: 4 givenname: Shahnawaz I. surname: Qureshi fullname: Qureshi, Shahnawaz I. organization: Department of Dyestuff Technology, Institute of Chemical Technology, Matunga (E), Mumbai, Maharashtra, 400 019, India – sequence: 5 givenname: Hemchandra K. surname: Chaudhari fullname: Chaudhari, Hemchandra K. organization: Department of Pharmaceutical Sciences and Technology, Institute of Chemical Technology, Matunga (E), Mumbai, Maharashtra, 400 019, India – sequence: 6 givenname: Nagaiyan surname: Sekar fullname: Sekar, Nagaiyan email: n.sekar@ictmumbai.edu.in organization: Department of Dyestuff Technology, Institute of Chemical Technology, Matunga (E), Mumbai, Maharashtra, 400 019, India |
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Novel azo linked substituted benzimidazole, benzoxazole, and benzothiazole were synthesized by diazo coupling and characterized by 1H NMR,... Novel azo linked substituted benzimidazole, benzoxazole, and benzothiazole were synthesized by diazo coupling and characterized by H NMR, elemental analysis,... Novel azo linked substituted benzimidazole, benzoxazole, and benzothiazole were synthesized by diazo coupling and characterized by 1H NMR, elemental analysis,... |
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| Title | Design, synthesis, antimicrobial activity and computational studies of novel azo linked substituted benzimidazole, benzoxazole and benzothiazole derivatives |
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