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Information × Registration Number 0221U106637, 0121U114117 , R & D reports Title Computer-aided design of selective chemical probes of angiotensin-converting enzyme 2 popup.stage_title Head Volochniuk Dmytro M., д.х.н. Registration Date 16-12-2021 Organization Institute of Organic Chemistry NAS of Ukraine popup.description2  The methodology of virtual screening of selective ACE2 inhibitors in relation to ACE on the basis of S4MPLE software is proposed. Approximately 200 commercially available compounds with the highest indicators are recommended for biological investigations using fluorogenic substrates for both enzymes (ACE2 and ACE) in a HTS format. These compounds were tested for ACE2 inhibitory activity. The set Abcam ab273373 with a fluorogenic substrate was used for experimental studies. Two hits with IC50(ACE2) = 16.8 μM and 53.6 μM were found. Product Description popup.authors Yehorov Dmytro Victorovich Volochnyuk Dmytro M. Gorlova Alina O. Oksiuta Oleksandr V`iacheslavovych popup.nrat_date 2021-12-16 Close