In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors
نویسندگان
چکیده
منابع مشابه
Target-guided screening of fragments (TGSOF) in the discovery of inhibitors against EV-A71 3C protease.
Target-guided screening of fragments (TGSOF) was developed and employed in the identification of EV-A71 3C protease (3Cpro) inhibitors. We identified 4-acetylpyridine and 3-acetylpyridine as effective P3 fragments of an inhibitor and obtained the corresponding irreversible inhibitors 12c and 12fvia this method. Furthermore, based on 12c and 12f, we have obtained reversible inhibitors 17c and 17...
متن کاملRecent development of 3C and 3CL protease inhibitors for anti-coronavirus and anti-picornavirus drug discovery.
SARS-CoV (severe acute respiratory syndrome-associated coronavirus) caused infection of ~8000 people and death of ~800 patients around the world during the 2003 outbreak. In addition, picornaviruses such as enterovirus, coxsackievirus and rhinovirus also can cause life-threatening diseases. Replication of picornaviruses and coronaviruses requires 3Cpro (3C protease) and 3CLpro (3C-like protease...
متن کاملScreening Efficacy of Available HIV Protease Inhibitors on COVID-19 Protease
Background and Aim: Advent of COVID-19 attracted the attentions of researchers to develop drugs for its treatment. Besides efforts on developing new drugs, screening available drugs for efficacy on COVID-19 could be an urgent action of initiating its pharmacotherapy. In this study, efficacy of HIV protease inhibitors on COVID-19 protease has been examined. Methods: Molecular docking based scree...
متن کاملVirtual Screening of Novel Noncovalent Inhibitors for SARS-CoV 3C-like Proteinase
The SARS coronavirus 3C-like proteinase is considered as a potential drug design target for the treatment of severe acute respiratory syndrome (SARS). Owing to the lack of available drugs for the treatment of SARS, the discovery of inhibitors for SARS coronavirus 3C-like proteinase that can potentially be optimized as drugs appears to be highly desirable. We have built a "flexible" three-dimens...
متن کاملStructural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors.
Five active metal-conjugated inhibitors (PMA, TDT, EPDTC, JMF1586 and JMF1600) bound with the 3C-like protease of severe acute respiratory syndrome (SARS)-associated coronavirus were analyzed crystallographically. The complex structures reveal two major inhibition modes: Hg(2+)-PMA is coordinated to C(44), M(49) and Y(54) with a square planar geometry at the S3 pocket, whereas each Zn(2+) of th...
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ژورنال
عنوان ژورنال: Journal of Structural Biology: X
سال: 2020
ISSN: 2590-1524
DOI: 10.1016/j.yjsbx.2020.100031