Inhibition of the β-carbonic anhydrase from the dandruff-producing fungus Malassezia globosa with monothiocarbamates
A series of monothiocarbamates (MTCs) was investigated for the inhibition of the β-class carbonic anhydrase (CAs, EC 4.2.1.1) from the fungal parasite Malassezia globosa, MgCA. These MTCs incorporate various scaffolds, among which aliphatic amine with 1–4 carbons atom in their molecule, morpholine,...
| الحاوية / القاعدة: | Journal of Enzyme Inhibition and Medicinal Chemistry |
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| المؤلفون الرئيسيون: | , , , , , , , , , |
| التنسيق: | مقال |
| اللغة: | الإنجليزية |
| منشور في: |
Taylor & Francis Group
2017-01-01
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| الموضوعات: | |
| الوصول للمادة أونلاين: | http://dx.doi.org/10.1080/14756366.2017.1355307 |
| _version_ | 1852792915002130432 |
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| author | Alessio Nocentini Daniela Vullo Sonia Del Prete Sameh M. Osman Fatmah A.S. Alasmary Zeid AlOthman Clemente Capasso Fabrizio Carta Paola Gratteri Claudiu T. Supuran |
| author_facet | Alessio Nocentini Daniela Vullo Sonia Del Prete Sameh M. Osman Fatmah A.S. Alasmary Zeid AlOthman Clemente Capasso Fabrizio Carta Paola Gratteri Claudiu T. Supuran |
| author_sort | Alessio Nocentini |
| collection | DOAJ |
| container_title | Journal of Enzyme Inhibition and Medicinal Chemistry |
| description | A series of monothiocarbamates (MTCs) was investigated for the inhibition of the β-class carbonic anhydrase (CAs, EC 4.2.1.1) from the fungal parasite Malassezia globosa, MgCA. These MTCs incorporate various scaffolds, among which aliphatic amine with 1–4 carbons atom in their molecule, morpholine, piperazine, as well as phenethylamine and benzylamine derivatives. All the reported MTCs displayed a better efficacy in inhibiting MgCA compared to the clinically used sulphonamide drug acetazolamide (KI of 74 μM), with KIs spanning between 1.85 and 18.9 μM. The homology model of the enzyme previously reported by us was used to rationalize the results by docking some of these MTCs within the fungal CA active site. This study might be useful to enrich the knowledge of the MgCA inhibition profile, eliciting novel ideas pertaining the design of modulators with potential efficacy in combatting dandruff or other fungal infections. |
| format | Article |
| id | doaj-art-1dd0e09b4b8748d7bc2fddad72e2eede |
| institution | Directory of Open Access Journals |
| issn | 1475-6366 1475-6374 |
| language | English |
| publishDate | 2017-01-01 |
| publisher | Taylor & Francis Group |
| record_format | Article |
| spelling | doaj-art-1dd0e09b4b8748d7bc2fddad72e2eede2025-08-19T20:43:09ZengTaylor & Francis GroupJournal of Enzyme Inhibition and Medicinal Chemistry1475-63661475-63742017-01-013211064107010.1080/14756366.2017.13553071355307Inhibition of the β-carbonic anhydrase from the dandruff-producing fungus Malassezia globosa with monothiocarbamatesAlessio Nocentini0Daniela Vullo1Sonia Del Prete2Sameh M. Osman3Fatmah A.S. Alasmary4Zeid AlOthman5Clemente Capasso6Fabrizio Carta7Paola Gratteri8Claudiu T. Supuran9University of FirenzeUniversity of FirenzeUniversity of FirenzeKing Saud UniversityKing Saud UniversityKing Saud UniversityIstituto di Bioscienze e Biorisorse – CNRUniversity of FirenzeUniversity of FirenzeUniversity of FirenzeA series of monothiocarbamates (MTCs) was investigated for the inhibition of the β-class carbonic anhydrase (CAs, EC 4.2.1.1) from the fungal parasite Malassezia globosa, MgCA. These MTCs incorporate various scaffolds, among which aliphatic amine with 1–4 carbons atom in their molecule, morpholine, piperazine, as well as phenethylamine and benzylamine derivatives. All the reported MTCs displayed a better efficacy in inhibiting MgCA compared to the clinically used sulphonamide drug acetazolamide (KI of 74 μM), with KIs spanning between 1.85 and 18.9 μM. The homology model of the enzyme previously reported by us was used to rationalize the results by docking some of these MTCs within the fungal CA active site. This study might be useful to enrich the knowledge of the MgCA inhibition profile, eliciting novel ideas pertaining the design of modulators with potential efficacy in combatting dandruff or other fungal infections.http://dx.doi.org/10.1080/14756366.2017.1355307Carbonic anhydraseβ-CA-class enzymemonothiocarbamateinhibitorMalassezia globosa |
| spellingShingle | Alessio Nocentini Daniela Vullo Sonia Del Prete Sameh M. Osman Fatmah A.S. Alasmary Zeid AlOthman Clemente Capasso Fabrizio Carta Paola Gratteri Claudiu T. Supuran Inhibition of the β-carbonic anhydrase from the dandruff-producing fungus Malassezia globosa with monothiocarbamates Carbonic anhydrase β-CA-class enzyme monothiocarbamate inhibitor Malassezia globosa |
| title | Inhibition of the β-carbonic anhydrase from the dandruff-producing fungus Malassezia globosa with monothiocarbamates |
| title_full | Inhibition of the β-carbonic anhydrase from the dandruff-producing fungus Malassezia globosa with monothiocarbamates |
| title_fullStr | Inhibition of the β-carbonic anhydrase from the dandruff-producing fungus Malassezia globosa with monothiocarbamates |
| title_full_unstemmed | Inhibition of the β-carbonic anhydrase from the dandruff-producing fungus Malassezia globosa with monothiocarbamates |
| title_short | Inhibition of the β-carbonic anhydrase from the dandruff-producing fungus Malassezia globosa with monothiocarbamates |
| title_sort | inhibition of the β carbonic anhydrase from the dandruff producing fungus malassezia globosa with monothiocarbamates |
| topic | Carbonic anhydrase β-CA-class enzyme monothiocarbamate inhibitor Malassezia globosa |
| url | http://dx.doi.org/10.1080/14756366.2017.1355307 |
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