How to Find a Fragment: Methods for Screening and Validation in Fragment-Based Drug Discovery

Autor(es)

Kirkman, Tim ; Silva, Catharina dos Santos ; Tosin, Manuela ; Dias, Marcio Vinicius Bertacine Bertacine

• Tipo de documento: Artigo Científico
• Fonte: CHEMMEDCHEM; v. N/A, p. 15-pg., 2024-11-04.

Resumo

Fragment-based drug discovery (FBDD) is a crucial strategy for developing new drugs that have been applied to diverse targets, from neglected infectious diseases to cancer. With at least seven drugs already launched to the market, this approach has gained interest in both academics and industry in the last 20 years. FBDD relies on screening small libraries with about 1000-2000 compounds of low molecular weight (about 300 Da) using several biophysical methods. Because of the reduced size of the compounds, the chemical space and diversity can be better explored than large libraries used in high throughput screenings. This review summarises the most common biophysical techniques used in fragment screening and orthogonal validation. We also explore the advantages and drawbacks of the different biophysical techniques and examples of applications and strategies. (AU)

• Processo FAPESP: 21/10577-0 - Centro de Pesquisa em Biologia de Bactérias e Bacteriófagos (CEPID B3)
• Beneficiário: Shaker Chuck Farah
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs
• Processo FAPESP: 22/12234-5 - Resistência a antimicrobianos em Mycobacterium tuberculosis: análise estrutural, biofísica e bioquímica de mutações missense
• Beneficiário: Marcio Vinicius Bertacine Dias
• Modalidade de apoio: Auxílio à Pesquisa - Regular