دورية أكاديمية

Conventional and microwave-assisted organic synthesis of novel antimycobacterial agents bearing furan and pyridine hybrids.

التفاصيل البيبلوغرافية
العنوان: Conventional and microwave-assisted organic synthesis of novel antimycobacterial agents bearing furan and pyridine hybrids.
المؤلفون: Desai NC; Division of Medicinal Chemistry, Department of Chemistry, Mahatma Gandhi Campus, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar, India., Bhatt K; Division of Medicinal Chemistry, Department of Chemistry, Mahatma Gandhi Campus, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar, India., Jadeja DJ; Division of Medicinal Chemistry, Department of Chemistry, Mahatma Gandhi Campus, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar, India., Mehta HK; Division of Medicinal Chemistry, Department of Chemistry, Mahatma Gandhi Campus, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar, India., Khedkar VM; School of Pharmacy, Vishwakarma University, Pune, India., Sarkar D; Combichem Bio-resource Centre, CSIR-National Chemical Laboratory, Pune, India.
المصدر: Drug development research [Drug Dev Res] 2022 Apr; Vol. 83 (2), pp. 416-431. Date of Electronic Publication: 2021 Aug 20.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: Wiley-Liss Country of Publication: United States NLM ID: 8204468 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1098-2299 (Electronic) Linking ISSN: 02724391 NLM ISO Abbreviation: Drug Dev Res Subsets: MEDLINE
أسماء مطبوعة: Publication: New York Ny : Wiley-Liss
Original Publication: New York : Alan R. Liss, c1981-
مواضيع طبية MeSH: Mycobacterium tuberculosis* , Tuberculosis*/drug therapy, Antitubercular Agents/chemistry ; Chemistry Techniques, Synthetic ; Furans/pharmacology ; Furans/therapeutic use ; Humans ; Microbial Sensitivity Tests ; Microwaves ; Molecular Docking Simulation ; Pyridines/pharmacology ; Structure-Activity Relationship
مستخلص: Drug resistance in tuberculosis poses a serious threat to humanity because currently available antitubercular drugs are ineffective against Mycobacterium tuberculosis (M. tuberculosis). As a result, the approval of Bedaquiline and Delamanid for the treatment of drug-resistant tuberculosis was accelerated. Still, there is an urgent need to search for new antitubercular drugs with novel mechanisms of action (MoA). Due to this, we have designed a synthetic strategy by utilizing microwave-assisted organic synthesis. We have compared our method with the conventional procedure, and the data show that our procedure is more effective in the preparation of title compounds. A unique series of 1-(2-(furan-2-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(aryl)-prop-2-en-1-ones (5a-o) was synthesized utilizing conventional and microwave-assisted techniques. Synthetic compounds were investigated for antitubercular activity against Mycobacterium TB H 37 Ra and Mycobacterium bovis (M. bovis). Compound 5b was reported to be the most effective against M. tuberculosis H 37 Ra (97.69 percent inhibition at 30 μg/ml) and M. bovis (97.09 percent inhibition at 30 μg/ml). An in silico binding affinity study of mycobacterial enoyl-acyl carrier protein reductase (InhA) reveals the binding mechanism and thermodynamic interactions that determine these molecule's binding affinity. Compound 5b had a high glide score of -8.991 and low glide energy of -49.893 kcal/mol.
(© 2021 Wiley Periodicals LLC.)
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فهرسة مساهمة: Keywords: antitubercular activity; microwave-assisted organic synthesis; molecular docking
المشرفين على المادة: 0 (Antitubercular Agents)
0 (Furans)
0 (Pyridines)
تواريخ الأحداث: Date Created: 20210820 Date Completed: 20220502 Latest Revision: 20220524
رمز التحديث: 20240628
DOI: 10.1002/ddr.21872
PMID: 34414591
قاعدة البيانات: MEDLINE
الوصف
تدمد:1098-2299
DOI:10.1002/ddr.21872