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Natural products biological screening and ligand-based virtual screening for the discovery of new antileishmanial agents
(BENTHAM SCIENCE PUBL LTD, 2008)
In the course of our research program to discover novel antileishmanial agents, a biological screening of natural products against Leishmania major promastigotes allowed the identification of a furoquinoline alkaloid (1) ...
Virtual Screening Applications in the Search of Novel Antiepileptic Drug Candidates
(Springer, 2016)
Virtual screening (VS) encompasses a wide spectrum of computational approaches oriented to prioritize which compounds from chemical libraries or repositories will be subjected to experimental in vitro and in vivo testing. ...
Ligand screening assay for the enzyme kallikrein immobilized on NHS-activated Sepharose
(Elsevier B.V., 2021-05-30)
Human tissue kallikreins (KLKs) are serine proteases involved in various physiological and pathological conditions, including cancer and neurological disorders. These enzymes constitute attractive drug targets, which has ...
Screening protein-ligand interactions using H-1 NMR techniques for detecting the ligand
(Soc Brasileira QuimicaSao PauloBrasil, 2007)
Integration of Ligand- and Target-Based Virtual Screening for the Discovery of Cruzain Inhibitors
(WILEY-BLACKWELL, 2011)
A myriad of methods are available for virtual screening of small organic compound databases. In this study we have successfully applied a quantitative model of consensus measurements, using a combination of 3D similarity ...
Modern drug discovery technologies: opportunities and challenges in lead discovery
(Bentham ScienceBussum, 2011-12)
The identification of promising hits and the generation of high quality leads are crucial steps in the early stages of drug discovery projects. The definition and assessment of both chemical and biological space have ...
Multiple minima hypersurfaces procedures for biomimetic ligands screening
(2011-09-08)
In this work the interaction of the pesticide carbaryl with two groups of biomimetic ligands, peptides and MIPs was screened by multiple minima hypersurfaces (MMH) procedures, through the AM1 semiempirical method. Data ...
Multiple minima hypersurfaces procedures for biomimetic ligands screening
(2011-09-08)
In this work the interaction of the pesticide carbaryl with two groups of biomimetic ligands, peptides and MIPs was screened by multiple minima hypersurfaces (MMH) procedures, through the AM1 semiempirical method. Data ...