Integración del uso de técnicas de análisis computacional en la I+D farmacéutica moderna

Autor: Silva, Maria Rosana Marques da, Negreiros, Polyanna dos Santos, Santos, Pauline Sousa dos

Publikováno v: Research, Society and Development; Vol. 11 No. 7; e3111729672
Research, Society and Development; Vol. 11 Núm. 7; e3111729672
Research, Society and Development; v. 11 n. 7; e3111729672
Research, Society and Development
Universidade Federal de Itajubá (UNIFEI)
instacron:UNIFEI

The path of the development process of new molecules for drugs is long and complex. Thus, in silico techniques are widely used for drug discovery. This paper aimed to analyze the importance of computational techniques in the current pharmaceutical re

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3056::030987f86c0ecce31e401b888743e242
https://rsdjournal.org/index.php/rsd/article/view/29672

Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLpro

Autor: Humberto Fonseca de Freitas, Samuel S. R. Pita, Rosivaldo S. Borges, Cleydson B. R. Santos, Njogu M. Kimani, Rai C. Silva, Joaquín M. Campos, Carlos Henrique Tomich de Paula da Silva

Publikováno v: International Journal of Molecular Sciences, Vol 22, Iss 11739, p 11739 (2021)
International Journal of Molecular Sciences
Volume 22
Issue 21
Digibug. Repositorio Institucional de la Universidad de Granada
instname
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has received global attention due to the serious threat it poses to public health. Since the outbreak in December 2019, millions of people ha

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8f984b23df693c13f49e696d8efffe6d
https://www.mdpi.com/1422-0067/22/21/11739

Distinct binding of cetirizine enantiomers to human serum albumin and the human histamine receptor H1

Autor: Almudena Perona, M. Piedad Ros, Federico Gago, Antonio Morreale, Alberto Mills

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
instname

Cetirizine, a major metabolite of hydroxyzine, became a marketed second-generation H antihistamine that is orally active and has a rapid onset of action, long duration of effects and a very good safety record at recommended doses. The approved drug i

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b551dfc16e7e663ca89b51693b6780f5
http://hdl.handle.net/10261/219158

Structure-Guided Tuning of a Selectivity Switch towards Ribonucleosides in Trypanosoma brucei Purine Nucleoside 2′-Deoxyribosyltransferase

Autor: Federico Gago, Alberto Mills, Jon Del Arco, Jesús Fernández-Lucas

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
instname

The use of nucleoside 2′-deoxyribosyltransferases (NDTs) as biocatalysts for the industrial synthesis of nucleoside analogues is often hindered by their strict preference for 2′-deoxyribonucleosides. It is shown herein that a highly versatile pur

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ab2960189fcfcb671c3b98dbd4016c98
http://hdl.handle.net/10261/203992

Interactions between Triterpenes and a P-I Type Snake Venom Metalloproteinase: Molecular Simulations and Experiments

Autor: Jaime Andrés Pereañez, Lina María Preciado, Jeffrey Comer, Ettayapuram Ramaprasad Azhagiya Singam

Publikováno v: Toxins, Vol 10, Iss 10, p 397 (2018)
Repositorio UdeA
Universidad de Antioquia
instacron:Universidad de Antioquia
Toxins
Volume 10
Issue 10

Small molecule inhibitors of snake venom metalloproteinases (SVMPs) could provide a means to rapidly halt the progression of local tissue damage following viperid snake envenomations. In this study, we examine the ability of candidate compounds based

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee79d6616be78a85a1b5c5f627675ed8
http://www.mdpi.com/2072-6651/10/10/397