Collaborative virtual screening to elaborate an imidazo[1,2-]pyridine hit series for visceral leishmaniasis

An innovative pre-competitive virtual screening collaboration was engaged to validate and subsequently explore an imidazo[1,2- a ]pyridine screening hit for visceral leishmaniasis. In silico probing of five proprietary pharmaceutical company libraries enabled rapid expansion of the hit chemotype, al...

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Veröffentlicht in:	MedChemComm 2021-04, Vol.12 (3), p.384-393
Hauptverfasser:	Akao, Yuichiro, Canan, Stacie, Cao, Yafeng, Condroski, Kevin, Engkvist, Ola, Itono, Sachiko, Kaki, Rina, Kimura, Chiaki, Kogej, Thierry, Nagaoka, Kazuya, Naito, Akira, Nakai, Hiromi, Pairaudeau, Garry, Radu, Constantin, Roberts, Ieuan, Shimada, Mitsuyuki, Shum, David, Watanabe, Nao-aki, Xie, Huanxu, Yonezawa, Shuji, Yoshida, Osamu, Yoshida, Ryu, Mowbray, Charles, Perry, Benjamin
Format:	Artikel
Sprache:	eng
Schlagworte:	Antiparasitic agents Biochemistry & Molecular Biology Chemistry Chemistry, Medicinal Collaboration Life Sciences & Biomedicine Optimization Parasitic diseases Pharmacology & Pharmacy Pyridines Science & Technology Screening Selectivity Vector-borne diseases Visceral leishmaniasis
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