Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents
In this manuscript, we describe the design, preparation, and studies of antimicrobial activity of a series of novel heteroarylated benzothiazoles. A molecular hybridization approach was used for the designing compounds. The in vitro evaluation exposed that these compounds showed moderate antibacteri...
| Main Authors: | , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-11-01
|
| Series: | Antibiotics |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-6382/11/11/1654 |
| _version_ | 1797466067972390912 |
|---|---|
| author | Alexander Zubenko Victor Kartsev Anthi Petrou Athina Geronikaki Marija Ivanov Jasmina Glamočlija Marina Soković Lyudmila Divaeva Anatolii Morkovnik Alexander Klimenko |
| author_facet | Alexander Zubenko Victor Kartsev Anthi Petrou Athina Geronikaki Marija Ivanov Jasmina Glamočlija Marina Soković Lyudmila Divaeva Anatolii Morkovnik Alexander Klimenko |
| author_sort | Alexander Zubenko |
| collection | DOAJ |
| description | In this manuscript, we describe the design, preparation, and studies of antimicrobial activity of a series of novel heteroarylated benzothiazoles. A molecular hybridization approach was used for the designing compounds. The in vitro evaluation exposed that these compounds showed moderate antibacterial activity. Compound <b>2j</b> was found to be the most potent (MIC/MBC at 0.23–0.94 mg/mL and 0.47–1.88 mg/mL) On the other hand, compounds showed good antifungal activity (MIC/MFC at 0.06–0.47 and 0.11–0.94 mg/mL respectively) with <b>2d</b> being the most active one. The docking studies revealed that inhibition of <i>E. coli MurB</i> and 14-lanosterol demethylase probably represent the mechanism of antibacterial and antifungal activities. |
| first_indexed | 2024-03-09T18:30:54Z |
| format | Article |
| id | doaj.art-0cfb2fc437de43268e383f46abe812ed |
| institution | Directory Open Access Journal |
| issn | 2079-6382 |
| language | English |
| last_indexed | 2024-03-09T18:30:54Z |
| publishDate | 2022-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Antibiotics |
| spelling | doaj.art-0cfb2fc437de43268e383f46abe812ed2023-11-24T07:31:20ZengMDPI AGAntibiotics2079-63822022-11-011111165410.3390/antibiotics11111654Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial AgentsAlexander Zubenko0Victor Kartsev1Anthi Petrou2Athina Geronikaki3Marija Ivanov4Jasmina Glamočlija5Marina Soković6Lyudmila Divaeva7Anatolii Morkovnik8Alexander Klimenko9North-Caucasian Zonal Research Veterinary Institute, 346406 Novocherkassk, RussiaInterBioScreen, 85355 Moscow, RussiaFaculty of Pharmacy, School of Health, Aristotle University, 54124 Thessaloniki, GreeceFaculty of Pharmacy, School of Health, Aristotle University, 54124 Thessaloniki, GreeceMycological Laboratory, Department of Plant Physiology, Institute for Biological Research “Siniša Stanković”, National Institute of Republic of Serbia, University of Belgrade, 11060 Belgrade, SerbiaMycological Laboratory, Department of Plant Physiology, Institute for Biological Research “Siniša Stanković”, National Institute of Republic of Serbia, University of Belgrade, 11060 Belgrade, SerbiaMycological Laboratory, Department of Plant Physiology, Institute for Biological Research “Siniša Stanković”, National Institute of Republic of Serbia, University of Belgrade, 11060 Belgrade, SerbiaInstitute of Physical and Organic Chemistry, Southern Federal University, Pr. Stachki 194/2, 344090 Rostov-on-Don, RussiaInstitute of Physical and Organic Chemistry, Southern Federal University, Pr. Stachki 194/2, 344090 Rostov-on-Don, RussiaNorth-Caucasian Zonal Research Veterinary Institute, 346406 Novocherkassk, RussiaIn this manuscript, we describe the design, preparation, and studies of antimicrobial activity of a series of novel heteroarylated benzothiazoles. A molecular hybridization approach was used for the designing compounds. The in vitro evaluation exposed that these compounds showed moderate antibacterial activity. Compound <b>2j</b> was found to be the most potent (MIC/MBC at 0.23–0.94 mg/mL and 0.47–1.88 mg/mL) On the other hand, compounds showed good antifungal activity (MIC/MFC at 0.06–0.47 and 0.11–0.94 mg/mL respectively) with <b>2d</b> being the most active one. The docking studies revealed that inhibition of <i>E. coli MurB</i> and 14-lanosterol demethylase probably represent the mechanism of antibacterial and antifungal activities.https://www.mdpi.com/2079-6382/11/11/1654heteroarylated benzothiazoleantimicrobialantibacterialantifungalmolecular docking |
| spellingShingle | Alexander Zubenko Victor Kartsev Anthi Petrou Athina Geronikaki Marija Ivanov Jasmina Glamočlija Marina Soković Lyudmila Divaeva Anatolii Morkovnik Alexander Klimenko Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents Antibiotics heteroarylated benzothiazole antimicrobial antibacterial antifungal molecular docking |
| title | Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents |
| title_full | Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents |
| title_fullStr | Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents |
| title_full_unstemmed | Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents |
| title_short | Experimental and In Silico Evaluation of New Heteroaryl Benzothiazole Derivatives as Antimicrobial Agents |
| title_sort | experimental and in silico evaluation of new heteroaryl benzothiazole derivatives as antimicrobial agents |
| topic | heteroarylated benzothiazole antimicrobial antibacterial antifungal molecular docking |
| url | https://www.mdpi.com/2079-6382/11/11/1654 |
| work_keys_str_mv | AT alexanderzubenko experimentalandinsilicoevaluationofnewheteroarylbenzothiazolederivativesasantimicrobialagents AT victorkartsev experimentalandinsilicoevaluationofnewheteroarylbenzothiazolederivativesasantimicrobialagents AT anthipetrou experimentalandinsilicoevaluationofnewheteroarylbenzothiazolederivativesasantimicrobialagents AT athinageronikaki experimentalandinsilicoevaluationofnewheteroarylbenzothiazolederivativesasantimicrobialagents AT marijaivanov experimentalandinsilicoevaluationofnewheteroarylbenzothiazolederivativesasantimicrobialagents AT jasminaglamoclija experimentalandinsilicoevaluationofnewheteroarylbenzothiazolederivativesasantimicrobialagents AT marinasokovic experimentalandinsilicoevaluationofnewheteroarylbenzothiazolederivativesasantimicrobialagents AT lyudmiladivaeva experimentalandinsilicoevaluationofnewheteroarylbenzothiazolederivativesasantimicrobialagents AT anatoliimorkovnik experimentalandinsilicoevaluationofnewheteroarylbenzothiazolederivativesasantimicrobialagents AT alexanderklimenko experimentalandinsilicoevaluationofnewheteroarylbenzothiazolederivativesasantimicrobialagents |