Discovery of short-course antiwolbachial quinazolines for elimination of filarial worm infections.
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Bakowski Malina A, Shiroodi Roohollah Kazem, Liu Renhe, Olejniczak Jason, Yang Baiyuan, Gagaring Kerstin, Guo Hui, White Pamela M, Chappell Laura, Debec Alain, Landmann Frédéric, Dubben Bettina, Lenz Franziska, Struever Dominique, Ehrens Alexandra, Frohberger Stefan J, Sjoberg Hanna, Pionnier Nicolas, Murphy Emma, Archer John, Steven Andrew, Chunda Valerine C, Fombad Fanny F, Chounna Patrick W, Njouendou Abdel J, Metuge Haelly M, Ndzeshang Bertrand L, Gandjui Narcisse V, Akumtoh Desmond N, Kwenti Tayong D B, Woods Ashley K, Joseph Sean B, Hull Mitchell V, Xiong Wen, Kuhen Kelli L, Taylor Mark J, Wanji Samuel, Turner Joseph D, Hübner Marc P, Hoerauf Achim, Chatterjee Arnab K, Roland Jason, Tremblay Matt S, Schultz Peter G, Sullivan William, Chu Xin-Jie, Petrassi H Michael, McNamara Case W
Аннотация
Parasitic filarial nematodes cause debilitating infections in people in resource-limited countries. A clinically validated approach to eliminating worms uses a 4- to 6-week course of doxycycline that targets Wolbachia, a bacterial endosymbiont required for worm viability and reproduction. However, the prolonged length of therapy and contraindication in children and pregnant women have slowed adoption of this treatment. Here, we describe discovery and optimization of quinazolines CBR417 and CBR490 that, with a single dose, achieve >99% elimination of Wolbachia in the in vivo Litomosoides sigmodontis filarial infection model. The efficacious quinazoline series was identified by pairing a primary cell-based high-content imaging screen with an orthogonal ex vivo validation assay to rapidly quantify Wolbachia elimination in Brugia pahangi filarial ovaries. We screened 300,368 small molecules in the primary assay and identified 288 potent and selective hits. Of 134 primary hits tested, only 23.9% were active in the worm-based validation assay, 8 of which contained a quinazoline heterocycle core. Medicinal chemistry optimization generated quinazolines with excellent pharmacokinetic profiles in mice. Potent antiwolbachial activity was confirmed in L. sigmodontis, Brugia malayi, and Onchocerca ochengi in vivo preclinical models of filarial disease and in vitro selectivity against Loa loa (a safety concern in endemic areas). The favorable efficacy and in vitro safety profiles of CBR490 and CBR417 further support these as clinical candidates for treatment of filarial infections.