67001-68-7Relevant academic research and scientific papers
QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity
Gomes, Marcelo N.,Braga, Rodolpho C.,Grzelak, Edyta M.,Neves, Bruno J.,Muratov, Eugene,Ma, Rui,Klein, Larry L.,Cho, Sanghyun,Oliveira, Guilherme R.,Franzblau, Scott G.,Andrade, Carolina Horta
, p. 126 - 138 (2017)
New anti-tuberculosis (anti-TB) drugs are urgently needed to battle drug-resistant Mycobacterium tuberculosis strains and to shorten the current 6–12-month treatment regimen. In this work, we have continued the efforts to develop chalcone-based anti-TB co
Design, synthesis, and biological evaluation of 4-(5-nitrofuran-2-yl)prop- 2-en-1-one derivatives as potent antitubercular agents
Tawari, Nilesh R.,Bairwa, Ranjeet,Ray,Rajan,Degani, Mariam S.
experimental part, p. 6175 - 6178 (2010/11/19)
Based on stereoelectronic feature analysis using density functional theory (DFT) at B3LYP/3-21G level, a series of 4-(5-nitrofuran-2-yl)prop-2-en-1-one derivatives with low LUMO energies (90/CC50: >1800). Thus, this study shows the potential of stereoelectronic property analysis in developing improved nitroaromatics as antitubercular agents.
