Nuno M. F. S. A. Cerqueira

Universidade do Porto

H-index: 32

Europe-Portugal

About Nuno M. F. S. A. Cerqueira

Nuno M. F. S. A. Cerqueira, With an exceptional h-index of 32 and a recent h-index of 22 (since 2020), a distinguished researcher at Universidade do Porto, specializes in the field of Computational chemistry, enzymatic catalysis, QM/MM, molecular docking, software development.

His recent articles reflect a diverse array of research interests and contributions to the field:

In silico identification of novel PqsD inhibitors: promising molecules for quorum sensing interference in Pseudomonas aeruginosa

Montelukast and cefoperazone act as anti-quorum sensing and anti-biofilm agents against Pseudomonas aeruginosa

Computational studies devoted to the catalytic mechanism of threonine aldolase, a critical enzyme in the pharmaceutical industry to synthesize β-hydroxy-α-amino acids

Inactivation Mechanism of the Fatty Acid Amide Hydrolase Inhibitor BIA 10‐2474

Targeting Pseudomonas aeruginosa MvfR in the battle against biofilm formation: a multi-level computational approach

A molecular mechanics energy partitioning software for biomolecular systems

New insights into the catalytic mechanism of the SARS-CoV-2 main protease: An ONIOM QM/MM approach

Cover Feature: The Catalytic Mechanism of Pdx2 Glutaminase Driven by a Cys‐His‐Glu Triad: A Computational Study (ChemBioChem 9/2022)

Nuno M. F. S. A. Cerqueira Information

University	Universidade do Porto
Position	Requimte Faculdade de Ciências
Citations(all)	3533
Citations(since 2020)	1705
Cited By	2402
hIndex(all)	32
hIndex(since 2020)	22
i10Index(all)	67
i10Index(since 2020)	47
Email	Access Email
University Profile Page	Universidade do Porto
Google Scholar	View Google Scholar Profile

Nuno M. F. S. A. Cerqueira Skills & Research Interests

Computational chemistry

enzymatic catalysis

QM/MM

molecular docking

software development

Top articles of Nuno M. F. S. A. Cerqueira

Title	Journal	Author(s)	Publication Date
In silico identification of novel PqsD inhibitors: promising molecules for quorum sensing interference in Pseudomonas aeruginosa	Molecular Systems Design & Engineering	Tatiana F Vieira Nuno MFSA Cerqueira Manuel Simões Sérgio F Sousa	2024
Montelukast and cefoperazone act as anti-quorum sensing and anti-biofilm agents against Pseudomonas aeruginosa	Journal of Applied Microbiology	Tatiana F Vieira Miguel M Leitão Nuno MFSA Cerqueira Sérgio F Sousa Anabela Borges ...	2024/4/8
Computational studies devoted to the catalytic mechanism of threonine aldolase, a critical enzyme in the pharmaceutical industry to synthesize β-hydroxy-α-amino acids	ACS Catalysis	Juliana F Rocha Sergio F Sousa Nuno MF Sousa A Cerqueira	2022/4/13
Inactivation Mechanism of the Fatty Acid Amide Hydrolase Inhibitor BIA 10‐2474	ChemBioChem	Nuno MFSA Cerqueira Marco Neves Juliana Rocha Patrício Soares‐da Silva P Nuno Palma	2022/10/19
Targeting Pseudomonas aeruginosa MvfR in the battle against biofilm formation: a multi-level computational approach	Molecular Systems Design & Engineering	Tatiana F Vieira Rita P Magalhães Nuno MFSA Cerqueira Manuel Simões Sérgio F Sousa	2022
A molecular mechanics energy partitioning software for biomolecular systems	Molecules	Henrique S Fernandes Nuno MFSA Cerqueira Sérgio F Sousa André Melo	2022/8/27
New insights into the catalytic mechanism of the SARS-CoV-2 main protease: An ONIOM QM/MM approach	Molecular Diversity	Henrique S Fernandes Sérgio F Sousa Nuno MFSA Cerqueira	2022/6
Cover Feature: The Catalytic Mechanism of Pdx2 Glutaminase Driven by a Cys‐His‐Glu Triad: A Computational Study (ChemBioChem 9/2022)	ChemBioChem	André F Pina Sérgio F Sousa Nuno MFSA Cerqueira	2022/5/4
The Catalytic Mechanism of Pdx2 Glutaminase Driven by a Cys‐His‐Glu Triad: A Computational Study	ChemBioChem	André F Pina Sérgio F Sousa Nuno MFSA Cerqueira	2022/5/4
Developing and Using BioSIMAR, an Augmented Reality Program to Visualize and Learn about Chemical Structures in a Virtual Environment on Any Internet …		Henrique S Fernandes Nuno MFSA Cerqueira Sergio F Sousa	2021/4/20
An Unsual Cys‐Glu‐Lys Catalytic Triad is Responsible for the Catalytic Mechanism of the Nitrilase Superfamily: A QM/MM Study on Nit2	ChemPhysChem	Carla S Silva Teixeira Sérgio F Sousa Nuno MFSA Cerqueira	2021/4/19
The complete catalytic mechanism of xanthine oxidase: a computational study	Inorganic Chemistry Frontiers	Pedro MG Ribeiro Henrique S Fernandes Luísa B Maia Sérgio F Sousa José JG Moura ...	2021
The Catalytic Mechanism of the SARS-Cov-2 Main Protease		Henrique Fernandes Sérgio Sousa Nuno Cerqueira	2021/12/28
Alkaline phosphatase dual‐binding sites for collagen dictate cell migration and microvessel assembly in vitro	Journal of cellular biochemistry	Susana G Guerreiro Ronald E Unger Nuno MFSA Cerqueira Anne Sartoris Maria J Martins ...	2021/1
Improving computational modeling coupled with ion mobility-mass spectrometry data for efficient drug metabolite structural determination	Structural Chemistry	Dmytro A Ivashchenko Nuno MFSA Cerqueira Alexandre L Magalhães	2021/10
Multifunctional enzymes as targets for the treatment of tuberculosis: Paving the way for new anti-TB drugs		Carla Sílvia Silva Teixeira Nuno MFSA Cerqueira Sérgio F Sousa	2021/8/1
Catalytic mechanism of human aldehyde oxidase	ACS Catalysis	Pedro Ferreira Nuno MF Sousa A Cerqueira Pedro Alexandrino Fernandes Maria João Romão Maria João Ramos	2020/7/22
Benzo [a] phenoxazinium chlorides: Synthesis, antifungal activity, in silico studies and evaluation as fluorescent probes	Bioorganic Chemistry	Maria Ines PS Leitao B Rama Raju Nuno MFSA Cerqueira Maria João Sousa M Sameiro T Gonçalves	2020/5/1
Solving the catalytic mechanism of tryptophan synthase: An emergent drug target in the treatment of tuberculosis	ChemCatChem	Carla S Silva Teixeira Maria J Ramos Sérgio F Sousa Nuno MFSA Cerqueira	2020/1/8
A molecular perspective on sirtuin activity		Carla SS Teixeira Nuno MFSA Cerqueira Pedro Gomes Sérgio F Sousa	2020/11/15