دورية أكاديمية
Synthesis, Molecular Docking Study, and Biological Evaluation of New 4-(2,5-Dimethyl-1 H -pyrrol-1-yl)- N '-(2-(substituted)acetyl)benzohydrazides as Dual Enoyl ACP Reductase and DHFR Enzyme Inhibitors.
| العنوان: | Synthesis, Molecular Docking Study, and Biological Evaluation of New 4-(2,5-Dimethyl-1 H -pyrrol-1-yl)- N '-(2-(substituted)acetyl)benzohydrazides as Dual Enoyl ACP Reductase and DHFR Enzyme Inhibitors. |
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| المؤلفون: | Mahnashi MH; Department of Pharmaceutical Chemistry, College of Pharmacy, Najran University, Najran 66462, Saudi Arabia., Koganole P; Novel Drug Design and Discovery Laboratory, Department of Pharmaceutical Chemistry, Soniya Education Trust's College of Pharmacy, Sangolli Rayanna Nagar, Dharwad-580 002, Karnataka 580002, India., S R PK; Novel Drug Design and Discovery Laboratory, Department of Pharmaceutical Chemistry, Soniya Education Trust's College of Pharmacy, Sangolli Rayanna Nagar, Dharwad-580 002, Karnataka 580002, India., Ashgar SS; Department of Microbiology, Faculty of Medicine, Umm Al-Qura University, Makkah 21955, Saudi Arabia., Shaikh IA; Department of Pharmacology, College of Pharmacy, Najran University, Najran 66462, Saudi Arabia., Joshi SD; Novel Drug Design and Discovery Laboratory, Department of Pharmaceutical Chemistry, Soniya Education Trust's College of Pharmacy, Sangolli Rayanna Nagar, Dharwad-580 002, Karnataka 580002, India., Alqahtani AS; Department of Medical Laboratory Sciences, Faculty of Applied Medical Sciences, King Khalid University, Abha 62529, Saudi Arabia. |
| المصدر: | Antibiotics (Basel, Switzerland) [Antibiotics (Basel)] 2023 Apr 16; Vol. 12 (4). Date of Electronic Publication: 2023 Apr 16. |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: MDPI AG Country of Publication: Switzerland NLM ID: 101637404 Publication Model: Electronic Cited Medium: Print ISSN: 2079-6382 (Print) Linking ISSN: 20796382 NLM ISO Abbreviation: Antibiotics (Basel) Subsets: PubMed not MEDLINE |
| أسماء مطبوعة: | Original Publication: Basel, Switzerland : MDPI AG, 2012- |
| مستخلص: | In this study, a new series of 4-(2,5-dimethyl-1 H -pyrrol-1-yl)- N' -(2-(substituted)acetyl) benzohydrazides ( 5a-n ) were prepared and new heterocycles underwent thorough characterization and evaluation for antibacterial activity; some of them underwent further testing for in vitro inhibition of enoyl ACP reductase and DHFR enzymes. The majority of the synthesized molecules exhibited appreciable action against DHFR and enoyl ACP reductase enzymes. Some of the synthesized compounds also showed strong antibacterial and antitubercular properties. In order to determine the potential mode of action of the synthesized compounds, a molecular docking investigation was conducted. The results revealed binding interactions with both the dihydrofolate reductase and enoyl ACP reductase active sites. These molecules represent excellent future therapeutic possibilities with potential uses in the biological and medical sciences due to the compounds' pronounced docking properties and biological activity. |
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| معلومات مُعتمدة: | NU/DRP/MRC/12/1 Najran University |
| فهرسة مساهمة: | Keywords: ADMET studies; antibacterial activity; antitubercular activity; dimethyl pyrrolyl benzohydrazide derivatives; molecular docking |
| تواريخ الأحداث: | Date Created: 20230428 Latest Revision: 20230430 |
| رمز التحديث: | 20231215 |
| مُعرف محوري في PubMed: | PMC10135272 |
| DOI: | 10.3390/antibiotics12040763 |
| PMID: | 37107123 |
| قاعدة البيانات: | MEDLINE |
Full Text Finder | تدمد: | 2079-6382 |
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| DOI: | 10.3390/antibiotics12040763 |