دورية أكاديمية
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Synthesis, Structure and Molecular Docking of New 4,5-Dihydrothiazole Derivatives Based on 3,5-Dimethylpyrazole and Cytisine and Salsoline Alkaloids.

التفاصيل البيبلوغرافية
العنوان: Synthesis, Structure and Molecular Docking of New 4,5-Dihydrothiazole Derivatives Based on 3,5-Dimethylpyrazole and Cytisine and Salsoline Alkaloids.
المؤلفون: Ibrayev MK; Department of Chemistry and Chemical Technology, Abylkas Saginov Karaganda Technical University, Ave. Nursultan Nazarbayev, 56, Karaganda 100027, Kazakhstan.; Faculty of Chemistry, Karaganda Buketov University, st. University 28, Karaganda 100024, Kazakhstan., Nurkenov OA; Department of Chemistry and Chemical Technology, Abylkas Saginov Karaganda Technical University, Ave. Nursultan Nazarbayev, 56, Karaganda 100027, Kazakhstan.; Institute of Organic Synthesis and Coal Chemistry of Republic of Kazakhstan, Alikhanova 1, Karaganda 100008, Kazakhstan., Rakhimberlinova ZB; Department of Chemistry and Chemical Technology, Abylkas Saginov Karaganda Technical University, Ave. Nursultan Nazarbayev, 56, Karaganda 100027, Kazakhstan., Takibayeva AT; Department of Chemistry and Chemical Technology, Abylkas Saginov Karaganda Technical University, Ave. Nursultan Nazarbayev, 56, Karaganda 100027, Kazakhstan., Palamarchuk IV; Institute of Chemistry, Tyumen State University, 15a Perekopskaya St., Tyumen 625003, Russia., Turdybekov DM; Department of Chemistry and Chemical Technology, Abylkas Saginov Karaganda Technical University, Ave. Nursultan Nazarbayev, 56, Karaganda 100027, Kazakhstan., Kelmyalene AA; Department of Chemistry and Chemical Technology, Abylkas Saginov Karaganda Technical University, Ave. Nursultan Nazarbayev, 56, Karaganda 100027, Kazakhstan., Kulakov IV; Institute of Chemistry, Tyumen State University, 15a Perekopskaya St., Tyumen 625003, Russia.
المصدر: Molecules (Basel, Switzerland) [Molecules] 2022 Nov 05; Vol. 27 (21). Date of Electronic Publication: 2022 Nov 05.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE
أسماء مطبوعة: Original Publication: Basel, Switzerland : MDPI, c1995-
مواضيع طبية MeSH: Salsoline Alkaloids* , Alkaloids*/pharmacology, Molecular Docking Simulation ; Staphylococcus aureus ; Escherichia coli ; Structure-Activity Relationship ; Molecular Structure
مستخلص: The interaction results of 1,2-dibromo-3-isothiocyanatopropane with some pyrazoles as well as cytisine and salsoline alkaloids were presented in this paper. It was shown that the reaction resulted in one one-step and rather mild method for the preparation of the corresponding 1,3-thiazoline bromomethyl derivatives. The yield of this reaction was affected by the presence of a base and an order in which reagents were added. Molecular docking of the synthesized 1,3-thiazoline derivatives for putative antibacterial activity was carried out using the penicillin-binding target protein (PBP4) of the bacteria E. coli "Homo sapiens" and S. aureus "Homo sapiens" as an example. Molecular docking demonstrated that the compounds had insignificant binding energies at the level of selected reference drugs ( Cephalotin and Chloramphenicol ). The presence of natural alkaloids in the structure of thiazoline derivatives somewhat increased the affinity of these substrates for target proteins selected.
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معلومات مُعتمدة: AP08052014 Science Committee of the Ministry of Science and Higher Education of the Republic of Kazakhstan
فهرسة مساهمة: Keywords: 1,2-dibromo-3-isothiocyanatopropane; 3,5-dimethyl-1H-pyrazole; 5-(bromomethyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dihydrothiazole; allylisothiocyanate; cytisine and salsoline alkaloids; intramolecular heterocyclization
المشرفين على المادة: H21N865K9J (3,5-dimethylpyrazole)
0 (Salsoline Alkaloids)
53S5U404NU (cytisine)
0 (Alkaloids)
تواريخ الأحداث: Date Created: 20221111 Date Completed: 20221114 Latest Revision: 20221117
رمز التحديث: 20240628
مُعرف محوري في PubMed: PMC9655236
DOI: 10.3390/molecules27217598
PMID: 36364423
قاعدة البيانات: MEDLINE
الوصف
تدمد:1420-3049
DOI:10.3390/molecules27217598