| Journal: | Anais da Academia Brasileira de Ciencias |
| Database: | PERIÓDICA |
| System number: | 000418279 |
| ISSN: | 0001-3765 |
| Authors: | Ferreira, Leonardo G1 Oliva, Glaucius1 Andricopulo, Adriano D1 |
| Institutions: | 1Universidade de Sao Paulo, Instituto de Fisica de Sao Carlos, Sao Carlos, Sao Paulo. Brasil |
| Year: | 2018 |
| Season: | Abr |
| Volumen: | 90 |
| Pages: | 645-661 |
| Country: | Brasil |
| Language: | Inglés |
| Document type: | Artículo |
| Approach: | Experimental, aplicado |
| English abstract | Scientific and technological breakthroughs have compelled the current players in drug discovery to increasingly incorporate knowledge-based approaches. This evolving paradigm, which has its roots attached to the recent advances in medicinal chemistry, molecular and structural biology, has unprecedentedly demanded the development of up-to-date computational approaches, such as bio- and chemo-informatics. These tools have been pivotal to catalyzing the ever-increasing amount of data generated by the molecular sciences, and to converting the data into insightful guidelines for use in the research pipeline. As a result, ligand- and structure-based drug design have emerged as key pathways to address the pharmaceutical industry’s striking demands for innovation. These approaches depend on a keen integration of experimental and molecular modeling methods to surmount the main challenges faced by drug candidates – in vivo efficacy, pharmacodynamics, metabolism, pharmacokinetics and safety. To that end, the Laboratório de Química Medicinal e Computacional (LQMC) of the Universidade de São Paulo has developed forefront research on highly prevalent and life-threatening neglected tropical diseases and cancer. By taking part in global initiatives for pharmaceutical innovation, the laboratory has contributed to the advance of these critical therapeutic areas through the use of cutting-edge strategies in medicinal chemistry |
| Disciplines: | Química, Ciencias de la computación |
| Keyword: | Química farmacéutica, Química orgánica, Procesamiento de datos, Química médica, Diseño de fármacos, Ligandos, Diseño estructural, Cáncer, Enfermedades tropicales |
| Keyword: | Medicinal chemistry, Organic chemistry, Data processing, Medicinal chemistry, Drug design, Ligands, Structural design, Cancer, Tropical diseases |
| Full text: | Texto completo (Ver PDF) |
