| Full text | |
| Author(s): |
Koulouridi, Eleni
[1]
;
Valli, Marilia
[2]
;
Ntie-Kang, Fidele
[3, 4, 5]
;
Bolzani, Vanderlan da Silva
[2]
Total Authors: 4
|
| Affiliation: | [1] Univ Athens, Athens - Greece
[2] Univ Estadual Paulista, Inst Quim, Dept Quim Organ, Nucleo Bioensaios Biossintese & Ecofisiol Prod Na, Av Prof Francisco Degni 55, BR-14801970 Araraquara, SP - Brazil
[3] Univ Buea, Fac Sci, Dept Chem, POB 63, Buea - Cameroon
[4] Martin Luther Univ Halle Wittenberg, Inst Pharm, Wolfgang Langenbeck Str 4, D-06120 Halle, Saale - Germany
[5] Univ Chem & Technol Prague, Dept Informat & Chem, Tech 5, Prague 16628 6, Dejvice - Czech Republic
Total Affiliations: 5
|
| Document type: | Journal article |
| Source: | PHYSICAL SCIENCES REVIEWS; v. 4, n. 6 JUN 2019. |
| Web of Science Citations: | 0 |
| Abstract | |
Databases play an important role in various computational techniques, including virtual screening (VS) and molecular modeling in general. These collections of molecules can contain a large amount of information, making them suitable for several drug discovery applications. For example, vendor, bioactivity data or target type can be found when searching a database. The introduction of these data resources and their characteristics is used for the design of an experiment. The description of the construction of a database can also be a good advisor for the creation of a new one. There are free available databases and commercial virtual libraries of molecules. Furthermore, a computational chemist can find databases for a general purpose or a specific subset such as natural products (NPs). In this chapter, NP database resources are presented, along with some guidelines when preparing an NP database for drug discovery purposes. (AU) | |
| FAPESP's process: | 13/07600-3 - CIBFar - Center for Innovation in Biodiversity and Drug Discovery |
| Grantee: | Glaucius Oliva |
| Support Opportunities: | Research Grants - Research, Innovation and Dissemination Centers - RIDC |