Discovery of novel Zika virus NS3 protein inhibitors through the integration of docking, machine learning models and experimental evaluation (2020)
- Authors:
- Sousa, Bruna K. P.
- Mottin, Melina - Universidade Federal de Goiás (UFG)
- Bernatchez, Jean
- Mesquita, Nathalya Cristina de Moraes Roso
- Zhu, Zhe
- Rich, Jeremy
- Clark, Alex E.
- Zorn, Kimberley M.
- Foil, Daniel
- Sartori, Geraldo R.
- Albuquerque, Aline O.
- Silva, João H. M. da
- Neves, Bruno J. - Universidade Federal de Goiás (UFG)
- Muratov, Eugene
- Oliva, Glaucius
- Siqueira Neto, Jair
- Ekins, Sean
- Andrade, Carolina Horta - Universidade Federal de Goiás (UFG)
- USP affiliated authors: OLIVA, GLAUCIUS - IFSC ; MESQUITA, NATHALYA CRISTINA DE MORAES ROSO - IFSC
- Unidade: IFSC
- Subjects: ZIKA VÍRUS; PRODUTOS NATURAIS; ENZIMAS
- Keywords: Drug discovery; NS3 protease; Virtual screening
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: Anais
- Conference titles: Reunião Anual Virtual da Sociedade Brasileira de Química - RASBQ
-
ABNT
SOUSA, Bruna K. P. et al. Discovery of novel Zika virus NS3 protein inhibitors through the integration of docking, machine learning models and experimental evaluation. 2020, Anais.. Campinas: Galoá, 2020. Disponível em: https://proceedings.science/rasbq-2020/papers/discovery-of-novel-zika-virus-ns3-protein-inhibitors-through-the-integration-of-docking--machine-learning-models-and-exp. Acesso em: 04 out. 2024. -
APA
Sousa, B. K. P., Mottin, M., Bernatchez, J., Mesquita, N. C. de M. R., Zhu, Z., Rich, J., et al. (2020). Discovery of novel Zika virus NS3 protein inhibitors through the integration of docking, machine learning models and experimental evaluation. In Anais. Campinas: Galoá. Recuperado de https://proceedings.science/rasbq-2020/papers/discovery-of-novel-zika-virus-ns3-protein-inhibitors-through-the-integration-of-docking--machine-learning-models-and-exp -
NLM
Sousa BKP, Mottin M, Bernatchez J, Mesquita NC de MR, Zhu Z, Rich J, Clark AE, Zorn KM, Foil D, Sartori GR, Albuquerque AO, Silva JHM da, Neves BJ, Muratov E, Oliva G, Siqueira Neto J, Ekins S, Andrade CH. Discovery of novel Zika virus NS3 protein inhibitors through the integration of docking, machine learning models and experimental evaluation [Internet]. Anais. 2020 ;[citado 2024 out. 04 ] Available from: https://proceedings.science/rasbq-2020/papers/discovery-of-novel-zika-virus-ns3-protein-inhibitors-through-the-integration-of-docking--machine-learning-models-and-exp -
Vancouver
Sousa BKP, Mottin M, Bernatchez J, Mesquita NC de MR, Zhu Z, Rich J, Clark AE, Zorn KM, Foil D, Sartori GR, Albuquerque AO, Silva JHM da, Neves BJ, Muratov E, Oliva G, Siqueira Neto J, Ekins S, Andrade CH. Discovery of novel Zika virus NS3 protein inhibitors through the integration of docking, machine learning models and experimental evaluation [Internet]. Anais. 2020 ;[citado 2024 out. 04 ] Available from: https://proceedings.science/rasbq-2020/papers/discovery-of-novel-zika-virus-ns3-protein-inhibitors-through-the-integration-of-docking--machine-learning-models-and-exp - Discovery of new Zika virus candidates: natural products from Angelica keiskei with activity against NS2B-NS3 protease
- A diarylamine derived from anthranilic acid inhibits ZIKV replication
- Discovery of flavonoids from Pterogyne nitens with potent activity against Zika virus protease and helicase
- Biophysical characterization of the RNA-dependent RNA polimerase (nsP4) protein of Chikungunya virus
- Estudos estruturais e funcionais da única enzima diadenilato ciclase e da única YbbR-like de <i>Staphylococcus aureus</i>: proteínas envolvidas na biossíntese de c-di-AMP
- Insights into the role of the cobalt(III)-thiosemicarbazone complex as a potential inhibitor of the Chikungunya virus nsP4
- Flavonoids from Pterogyne nitens as Zika virus NS2B-NS3 protease inhibitors
- Estudos da correlação estrutura-função da enzima clorocatecol 1,2-Dioxigenase de Pseudomonas putida
- Natural compounds as non-nucleoside inhibitors of zika virus polymerase through integration of in silico and in vitro approaches
- The GA-hecate peptide inhibits the ZIKV replicative cycle in different steps and can inhibit the flavivirus NS2B-NS3 protease after cell infection
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