As a continuation of our previous work that turned toward the identification of antimycobacterial compounds with innovative structures, two series of pyrazole derivatives were synthesized by parallel solution-phase synthesis and were assayed as inhibitors of Mycobacterium tuberculosis (MTB), which is the causative agent of tuberculosis. One of these compounds showed high activity against MTB (MIC = 4 μg/mL). The newly synthesized pyrazoles were also computationally investigated to analyze their fit properties to the pharmacophoric model for antitubercular compounds previously built by us and to refine structure-activity relationship analysis.
Synthesis, biological evaluation and SAR study of novel pyrazole analogues as inhibitors of Mycobacterium tuberculosis / Daniele Castagnolo;Alessandro De Logu;Marco Radi;Beatrice Bechi;Fabrizio Manetti;Matteo Magnani;Sibilla Supino;Rita Meleddu;Lorenza Chisu;Maurizio Botta. - In: BIOORGANIC & MEDICINAL CHEMISTRY. - ISSN 0968-0896. - 16(2008), pp. 8587-8591. [10.1016/j.bmc.2008.08.016]