Evaluation of Antimicrobial Activity of Some Hybrids of Pyrimidine-Azole Derivatives along with Molecular docking study
Despite extensive research on antimicrobial drugs, efforts to find suitable alternatives to older drugs have not been very successful yet, due to microbial resistance. Heterocycles including azole and pyrimidine derivatives were used to design antimicrobial activity in this research, 12 novel pyrimi...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Shiraz University of Medical Sciences
2023-09-01
|
| Series: | Trends in Pharmaceutical Sciences |
| Subjects: | |
| Online Access: | https://tips.sums.ac.ir/article_49533_36699560af3d0cdc500d9599f5fa8bfd.pdf |
| _version_ | 1797562203484717056 |
|---|---|
| author | Leila Emami Fatemeh Zare Kamiar Zomorodian Mahshid Saber Nazar Agha Razieh Sabet |
| author_facet | Leila Emami Fatemeh Zare Kamiar Zomorodian Mahshid Saber Nazar Agha Razieh Sabet |
| author_sort | Leila Emami |
| collection | DOAJ |
| description | Despite extensive research on antimicrobial drugs, efforts to find suitable alternatives to older drugs have not been very successful yet, due to microbial resistance. Heterocycles including azole and pyrimidine derivatives were used to design antimicrobial activity in this research, 12 novel pyrimidine-azole derivatives (3a-3l) that were previously synthesized were screened for their antibacterial and antifungal activities by using CLSI standard method. In this study, we used four species of bacteria, seven species of fungi, and five species of yeast. Molecular docking studies were also performed to investigate their binding mode and orientation toward lanosterol 14-α- demethylase (CYP51), as a plausible mechanism of azole antifungal compounds. The biological results showed that none of the compounds had antibacterial and antifungal effects compared to the control drugs. The molecular docking study showed that the compounds had a low binding affinity in the active site of the lanosterol 14-α- demethylase target, which confirmed the weak antifungal and antibacterial activities of these compounds. |
| first_indexed | 2024-03-10T18:24:57Z |
| format | Article |
| id | doaj.art-ade1f5ee8a3348eba627bb9cb3c06194 |
| institution | Directory Open Access Journal |
| issn | 2423-5652 |
| language | English |
| last_indexed | 2024-03-10T18:24:57Z |
| publishDate | 2023-09-01 |
| publisher | Shiraz University of Medical Sciences |
| record_format | Article |
| series | Trends in Pharmaceutical Sciences |
| spelling | doaj.art-ade1f5ee8a3348eba627bb9cb3c061942023-11-20T07:05:57ZengShiraz University of Medical SciencesTrends in Pharmaceutical Sciences2423-56522023-09-019318319010.30476/tips.2023.98698.119549533Evaluation of Antimicrobial Activity of Some Hybrids of Pyrimidine-Azole Derivatives along with Molecular docking studyLeila Emami0Fatemeh Zare1Kamiar Zomorodian2Mahshid Saber Nazar Agha3Razieh Sabet4Pharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, IranPharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, IranDepartment of Medical Mycology and Parasitology, School of Medicine, Shiraz University of Medical Sciences, Shiraz, IranDepartment of Medicinal Chemistry, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, IranDepartment of Medicinal Chemistry, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, IranDespite extensive research on antimicrobial drugs, efforts to find suitable alternatives to older drugs have not been very successful yet, due to microbial resistance. Heterocycles including azole and pyrimidine derivatives were used to design antimicrobial activity in this research, 12 novel pyrimidine-azole derivatives (3a-3l) that were previously synthesized were screened for their antibacterial and antifungal activities by using CLSI standard method. In this study, we used four species of bacteria, seven species of fungi, and five species of yeast. Molecular docking studies were also performed to investigate their binding mode and orientation toward lanosterol 14-α- demethylase (CYP51), as a plausible mechanism of azole antifungal compounds. The biological results showed that none of the compounds had antibacterial and antifungal effects compared to the control drugs. The molecular docking study showed that the compounds had a low binding affinity in the active site of the lanosterol 14-α- demethylase target, which confirmed the weak antifungal and antibacterial activities of these compounds.https://tips.sums.ac.ir/article_49533_36699560af3d0cdc500d9599f5fa8bfd.pdfantimicrobialmolecular dockingazole-pyrimidine hybrids |
| spellingShingle | Leila Emami Fatemeh Zare Kamiar Zomorodian Mahshid Saber Nazar Agha Razieh Sabet Evaluation of Antimicrobial Activity of Some Hybrids of Pyrimidine-Azole Derivatives along with Molecular docking study Trends in Pharmaceutical Sciences antimicrobial molecular docking azole-pyrimidine hybrids |
| title | Evaluation of Antimicrobial Activity of Some Hybrids of Pyrimidine-Azole Derivatives along with Molecular docking study |
| title_full | Evaluation of Antimicrobial Activity of Some Hybrids of Pyrimidine-Azole Derivatives along with Molecular docking study |
| title_fullStr | Evaluation of Antimicrobial Activity of Some Hybrids of Pyrimidine-Azole Derivatives along with Molecular docking study |
| title_full_unstemmed | Evaluation of Antimicrobial Activity of Some Hybrids of Pyrimidine-Azole Derivatives along with Molecular docking study |
| title_short | Evaluation of Antimicrobial Activity of Some Hybrids of Pyrimidine-Azole Derivatives along with Molecular docking study |
| title_sort | evaluation of antimicrobial activity of some hybrids of pyrimidine azole derivatives along with molecular docking study |
| topic | antimicrobial molecular docking azole-pyrimidine hybrids |
| url | https://tips.sums.ac.ir/article_49533_36699560af3d0cdc500d9599f5fa8bfd.pdf |
| work_keys_str_mv | AT leilaemami evaluationofantimicrobialactivityofsomehybridsofpyrimidineazolederivativesalongwithmoleculardockingstudy AT fatemehzare evaluationofantimicrobialactivityofsomehybridsofpyrimidineazolederivativesalongwithmoleculardockingstudy AT kamiarzomorodian evaluationofantimicrobialactivityofsomehybridsofpyrimidineazolederivativesalongwithmoleculardockingstudy AT mahshidsabernazaragha evaluationofantimicrobialactivityofsomehybridsofpyrimidineazolederivativesalongwithmoleculardockingstudy AT raziehsabet evaluationofantimicrobialactivityofsomehybridsofpyrimidineazolederivativesalongwithmoleculardockingstudy |