The urokinase plasminogen activator binding to its receptor: a quantum biochemistry description within an in/homogeneous dielectric function framework with application to uPA–uPAR peptide inhibitors-Reference-Cited by-同舟云学术

The urokinase plasminogen activator binding to its receptor: a quantum biochemistry description within an in/homogeneous dielectric function framework with application to uPA–uPAR peptide inhibitors

Published:2020 Issue:6 Volume:22 Page:3570-3583
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Morais Pablo A.¹²³⁴⁵^ORCID,Maia Francisco Franciné⁶⁷⁸⁹⁵^ORCID,Solis-Calero Christian¹⁰¹¹¹²¹³⁵,Caetano Ewerton Wagner Santos¹²¹⁴⁵^ORCID,Freire Valder Nogueira¹⁵¹⁶¹⁴⁵,Carvalho Hernandes F.¹⁰¹¹¹²¹³⁵^ORCID

Affiliation:

1. Instituto Federal de Educação

2. Ciência e Tecnologia do Ceará

3. Campus Horizonte

4. Horizonte

5. Brazil

6. Departamento de Ciências Naturais

7. Matemática e Estatística

8. Universidade Federal Rural do Semi-Árido

9. Mossoró

10. Departamento de Biologia Estrutural e Funcional

11. Instituto de Biologia

12. Universidade Estadual de Campinas

13. Campinas

14. Fortaleza

15. Departamento de Física

16. Universidade Federal do Ceará

Abstract

DFT calculations using the MFCC fragment-based model considering a spatial-dependent dielectric function based on the Poisson–Boltzmann approximation were performed to describe the uPA–uPAR interactions.

Funder

Fundação de Amparo à Pesquisa do Estado de São Paulo

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP06530J

Reference109 articles.

1. Plasminogen Activators, Tissue Degradation, and Cancer