Buscar
Mostrando ítems 1-10 de 55
Integração das técnicas de triagem virtual e triagem biológica automatizada em alta escala: oportunidades e desafios em P&D de fármacos
(Sociedade Brasileira de Química - SBQSão Paulo, 2011)
High-throughput screening (HTS) and virtual screening (VS) are useful methods employed in drug discovery, allowing the identification of promising hits for lead optimization. The efficiency of these approaches depends on ...
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 ...
Modern Approaches for the Discovery of Anti-Infectious Drugs for the Treatment of Neglected Diseases
(Bentham Science Publishers, 2018-07)
Neglected diseases comprise a number of infectious diseases historically endemic to low-and middle-income countries, though recently they have spread to high-income countries due to human migrations. In the past, pharmaceutical ...
Molecular docking and drug discovery in β-adrenergic receptors
(Bentham Science Publishers B.V., 2017)
Leaving no stone unturned: Allosteric targeting of SARS-CoV-2 Spike protein at putative druggable sites disrupts human angiotensin-converting enzyme interactions at the receptor binding domain.
The systematic entry of SARS-CoV-2 into host cells, as mediated by its Spike (S) protein, is
highly essential for pathogenicity in humans. Hence, targeting the viral entry mechanisms
remains a major strategy for COVID-19 ...
Homology and Pharmacophore Modeling, High Throughput Virtual Screening and Molecular Docking Studies to Iden!fy Poten!al Inhibitors of the Two-pore-Domain Potassium Channel K2P9.1 (TASK-3)
(2017)
Two-pore domain potassium channels (K2P) give rise to leak potassium currents, which control the excitability of the
cells. The human genome contains 15 KCNK genes coding for proteins able to form K2P channels subdivided ...
Structure-based prediction of Mycobacterium tuberculosis shikimate kinase inhibitors by high-throughput virtual screening
(Bioorganic & Medicinal Chemistry letters, 2008-06-01)
Virtual screening and its integration with modern drug design technologies
(Bentham Science PublishingSharjah, 2008-01)
Drug discovery is a highly complex and costly process, which demands integrated efforts in several relevant aspects involving innovation, knowledge, information, technologies, expertise, R&D investments and management ...