Developing and applying computer simulation methods to enhance the molecular understanding to engineer functionalized biomaterials

• Grant number: 20/07158-2
• Support type: Regular Research Grants
• Duration: March 01, 2021 - February 28, 2025
• Field of knowledge: Engineering - Biomedical Engineering
• Cooperation agreement: ANR
• Principal researcher: Fernando Luis Barroso da Silva
• Grantee: Fernando Luis Barroso da Silva
• Principal researcher abroad: ETCHEBEST
• Institution abroad: Université Paris Diderot - Paris 7, France
• Home Institution: Faculdade de Ciências Farmacêuticas de Ribeirão Preto (FCFRP). Universidade de São Paulo (USP). Ribeirão Preto , SP, Brazil
• Assoc. researchers: Alexandre de Brevern ; Frédéric Guyon ; Jean-Christophe Gelly ; Julien Diharce

Abstract

The central theme here is the engineering of new biomolecular materials. An essential aspect is the understanding and control of biomolecular interactions particularly the pH dependence. This topic is highly challenging and extremely important in many bioprocesses. Based on our joined experience and the development of novel theoretical methods, we want to enhance the knowledge of the fundamental physical interactions responsible for the formation and stability of molecular complexes as the basis for the understanding, diagnosis and treatment of infectious diseases; developments in the pharmaceutical and food industries; design of new (bio) functionalized materials and processes of bioseparation in general. Studied systems will include proteins from flaviviruses and relatated to SARS-CoV-2, and the design of new antibodies due to their global health importance. Our proposal benefits from our expertise on computer simulations, electrostatic models and the deep knowledge of biomolecular dynamics and interactions. (AU)

Scientific publications

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

LUNKAD, RAJU; BARROSO DA SILVA, FERNANDO L.; KOSOVAN, PETER. oth Charge-Regulation and Charge-Patch Distribution Can Drive Adsorption on the Wrong Side of the Isoelectric Poin. Journal of the American Chemical Society, v. 144, n. 4, p. 1813-1825, FEB 2 2022. Web of Science Citations: 0.

PRATES-SYED, WASIM A.; CHAVES, LORENA C. S.; CREMA, KARIN P.; VUITIKA, LARISSA; LIRA, ALINE; CORTES, NELSON; KERSTEN, VICTOR; GUIMARAES, FRANCISCO E. G.; SADRAEIAN, MOHAMMAD; BARROSO DA SILVA, FERNANDO L.; CABRAL-MARQUES, OTAVIO; BARBUTO, JOSE A. M.; RUSSO, MOMTCHILO; CAMARA, NIELS O. S.; CABRAL-MIRANDA, GUSTAVO. LP-Based COVID-19 Vaccines: An Adaptable Technology against the Threat of New Variant. VACCINES, v. 9, n. 12 DEC 2021. Web of Science Citations: 0.

POVEDA-CUEVAS, SERGIO A.; BARROSO DA SILVA, FERNANDO LUIS; ETCHEBEST, CATHERINE. How the Strain Origin of Zika Virus NS1 Protein Impacts Its Dynamics and Implications to Their Differential Virulence. JOURNAL OF CHEMICAL INFORMATION AND MODELING, v. 61, n. 3, p. 1516-1530, MAR 22 2021. Web of Science Citations: 0.