Details

Autor(en) / Beteiligte

• Reddy, Guda Mallikarjuna
• Garcia, Jarem Raul
• Reddy, Vemulapati Hanuman
• de Andrade, Ageo Meier
• Camilo, Alexandre
• Pontes Ribeiro, Renan Augusto
• de Lazaro, Sergio Ricardo

Titel

Synthesis, antimicrobial activity and advances in structure-activity relationships (SARs) of novel tri-substituted thiazole derivatives

Ist Teil von

• European journal of medicinal chemistry, 2016-11, Vol.123, p.508-513

Ort / Verlag

France: Elsevier Masson SAS

Erscheinungsjahr

2016

Quelle

MEDLINE

Beschreibungen/Notizen

• Trisubstituted thiazoles were synthesized and studied for their antimicrobial activity and supported by theoretical calculations. In addition, MIC, MBC and MFC were also tested. Moreover, the present study was analyzed to scrutinize comprehensive structure-activity relationships. In fact, LUMO orbital energy and orbital orientation was reliable to explain their antibacterial and antifungal assay. Amongst the tested compounds, tri-methyl-substituted thiazole compound showed higher antimicrobial activity and low MIC value due to highest LUMO energy. [Display omitted] •Synthesis and simulation studies.•HOMO-LUMO orbital orientation and calculated electronic parameters.•Correlation between biological assay with electronic parameters.•LUMO orbitals influenced the biological activity.