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Microwave Assistant One Pot Synthesis, Crystal Structure, Antifungal Activities and 3D‐ QSAR of Novel 1,2,4‐Triazolo[4,3‐ a ]pyridines
Author(s) -
Liu XingHai,
Sun ZhaoHui,
Yang MingYan,
Tan ChengXia,
Weng JianQuan,
Zhang YongGang,
Ma Yi
Publication year - 2014
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/cbdd.12323
Subject(s) - quantitative structure–activity relationship , steric effects , antifungal , chemistry , electronic effect , stereochemistry , single crystal , combinatorial chemistry , crystallography , biology , microbiology and biotechnology
A series of novel 1,2,4‐triazolo[4,3‐ a ]pyridines were synthesized, and their structures were characterized by 1 H NMR , MS , elemental analysis, and single‐crystal X‐ray diffraction analysis. The antifungal activities were evaluated. The antifungal activity results indicated that the compound 2b , 2g , 2p , and 2i exhibited good activities. The activity of compound 2b , 2g , 2p , and 2i can compare with the commercial pesticide. The 3D‐ QSAR model was developed using Co MFA method. Both the steric and electronic field distributions of Co MFA are in good agreement in this work and will be very helpful in designing a new set of analogues.