Design, Synthesis, DFT Study and Antifungal Activity of Pyrazolecarboxamide Derivatives

Autor:	Ming-Yan Yang, Bao-Ju Li, Yan-Xia Shi, Zhao-Hui Sun, Na-Bo Sun, Xing-Hai Liu, Jin-Xia Mu
Jazyk:	angličtina
Rok vydání:	2016
Předmět:	Antifungal Antifungal Agents synthesis medicine.drug_class Phytophthora infestans Phenylhydrazines Pharmaceutical Science Pythium Microbial Sensitivity Tests Pyrazole 010402 general chemistry 01 natural sciences DFT Article Analytical Chemistry Acetoacetates Rhizoctonia lcsh:QD241-441 chemistry.chemical_compound Structure-Activity Relationship pyrazole antifungal activity SAR lcsh:Organic chemistry Amide Drug Discovery medicine Structure–activity relationship Organic chemistry Molecule Physical and Theoretical Chemistry Phenylhydrazine Molecular Structure 010405 organic chemistry Organic Chemistry Combinatorial chemistry Amides 0104 chemical sciences chemistry Design synthesis Chemistry (miscellaneous) Drug Design Molecular Medicine Pyrazoles Quantum Theory Botrytis
Zdroj:	Molecules Molecules; Volume 21; Issue 1; Pages: 68 Molecules, Vol 21, Iss 1, p 68 (2016)
ISSN:	1420-3049
Popis:	A series of novel pyrazole amide derivatives were designed and synthesized by multi-step reactions from phenylhydrazine and ethyl 3-oxobutanoate as starting materials, and their structures were characterized by NMR, MS and elemental analysis. The antifungal activity of the title compounds was determined. The results indicated that some of title compounds exhibited moderate antifungal activity. Furthermore, DFT calculations were used to study the structure-activity relationships (SAR).
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f0bed6d11caea19ac252a58fb3ab2b4 http://europepmc.org/articles/PMC6274113 Zobrazit plný text záznamu Plný text ve formátu PDF