نتایج جستجو برای: virtual screening

تعداد نتایج: 370631  

2013
Hugo de Almeida Izabela M. D. Bastos Bergmann M. Ribeiro Bernard Maigret Jaime M. Santana

Dengue fever is caused by four distinct serotypes of the dengue virus (DENV1-4), and is estimated to affect over 500 million people every year. Presently, there are no vaccines or antiviral treatments for this disease. Among the possible targets to fight dengue fever is the viral NS3 protease (NS3PRO), which is in part responsible for viral processing and replication. It is now widely recognize...

2013
Norbert Furtmann Jürgen Bajorath

The enzyme ecto-5'-nucleotidase (e5NT, CD73), a metallophosphoesterase, is a critical component of adenosine metabolism and signaling and implicated in different disease states. Therefore, attempts have been made to discover inhibitors of e5NT. For example, a virtual screening study using a molecular model of the enzyme has led to the identification of a new series of sulfonamide-containing e5N...

Journal: :Computational and Structural Biotechnology Journal 2013

Journal: :Journal of Chemical Information and Modeling 2016

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