1.
J Biomol Struct Dyn
; 31(9): 1001-2, 2013.
Artigo
em Inglês
| MEDLINE
| ID: mdl-23298285
2.
Drug Metab Lett
; 2(4): 256-60, 2008 Dec.
Artigo
em Inglês
| MEDLINE
| ID: mdl-19356102
RESUMO
Virtual screening docking-based approach has been employed in order to select novel HIV-1 integrase (IN) potential inhibitors in large databases. Toxicity, metabolism and drug-like properties have been analyzed for the most promising compounds, using computational chemistry techniques. Results were compared and discussed with that obtained for a known HIV-1 (IN) inhibitor reported in the literature.
Assuntos
Inibidores de Integrase de HIV/farmacocinética , Integrase de HIV/efeitos dos fármacos , Animais , Simulação por Computador , Bases de Dados Factuais , Sistemas de Liberação de Medicamentos , Desenho de Fármacos , Infecções por HIV/tratamento farmacológico , Infecções por HIV/fisiopatologia , Integrase de HIV/metabolismo , Inibidores de Integrase de HIV/farmacologia , Inibidores de Integrase de HIV/toxicidade , Humanos
3.
Acta Crystallogr C
; 58(Pt 2): o78-9, 2002 Feb.
Artigo
em Inglês
| MEDLINE
| ID: mdl-11828114
RESUMO
The title compound, C(5)H(6)N(2)S, is a simple but novel pyridinethiol of pharmacological interest. The molecule is planar. The crystal packing is dominated by hydrophobic contacts and a pair of hydrogen-bond interactions between the amino group of one pyridine molecule and the ring N atom of a neighbouring base, stabilizing the structure.
