Florbela Pereira

Rede de Química e Tecnologia — Portugal

Computer Science · Physical Sciences

19h-index1.6kcitations68works3.72yr avg
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Research Topics

Computational Drug Discovery Methods(34), Microbial Natural Products and Biosynthesis(14), Synthesis and biological activity(13), Metabolomics and Mass Spectrometry Studies(7), Machine Learning in Materials Science(6)

Publications68 total

Insights from Molecular Docking and Experimental Studies for Antibacterial Therapy
Portuguese National Funding Agency for Science, Research and Technology (RCAAP Project by FCT)·2025Open Access
Exploring the Potential of Thiazolo[5,4‐ <i>c</i> ]Isoquinoline Derivatives as Dihydrofolate Reductase Inhibitors: Insights from Molecular Docking and Experimental Studies for Antibacterial Therapy
ChemistrySelect·2025
A Chemoinformatics Investigation of Spectral and Quantum Chemistry Patterns for Discovering New Drug Leads from Natural Products Targeting the PD-1/PD-L1 Immune Checkpoint, with a Particular Focus on Naturally Occurring Marine Products
Marine Drugs·2025· 1 citedOpen Access
A Chemoinformatics Investigation of Spectral and Quantum Chemistry Patterns for Discovering New Drug Leads from Marine Natural Products Targeting the PD-1/PD-L1 Immune Checkpoint
Preprints.org·2025Open Access
Author response for "Advancements in drug discovery: integrating CADD tools and drug repurposing for PD-1/PD-L1 axis inhibition"
2025
The cytochalasans: potent fungal natural products with application from bench to bedside
Natural Product Reports·2025· 9 citedOpen Access
Advancements in drug discovery: integrating CADD tools and drug repurposing for PD-1/PD-L1 axis inhibition
RSC Advances·2025· 3 citedOpen Access
Assessing the Potential of 1,2,3-Triazole-Dihydropyrimidinone Hybrids Against Cholinesterases: In Silico, In Vitro, and In Vivo Studies
International Journal of Molecular Sciences·2024· 1 citedOpen Access
Investigating the Structure–Activity Relationship of Laulimalides Marine Macrolides as Promising Inhibitors for SARS-CoV-2 Main Protease (Mpro)
Journal of Computational Biophysics and Chemistry·2024· 1 cited
Design of Promising Thiazoloindazole-Based Acetylcholinesterase Inhibitors Guided by Molecular Docking and Experimental Insights
ACS Chemical Neuroscience·2024· 11 citedOpen Access
Deciphering the potential of <i>Cymbopogon citratus</i> (DC.) Stapf as an anti-obesity agent: phytochemical profiling, <i>in vivo</i> evaluations and molecular docking studies
Food & Function·2024· 11 citedOpen Access
Unveiling the potential of marine-derived diterpenes from the order Alcyonacea as promising anti-obesity agents
Current Research in Biotechnology·2024· 7 citedOpen Access
Marine Drug Discovery through Computer-Aided Approaches
Marine Drugs·2023· 2 citedOpen Access
Discovery of thiazolo[5,4-c]isoquinoline based compounds as acetylcholinesterase inhibitors through computational target prediction, molecular docking and bioassay
Journal of Molecular Structure·2023· 7 citedOpen Access
Investigating the antiviral therapeutic potentialities of marine polycyclic lamellarin pyrrole alkaloids as promising inhibitors for SARS-CoV-2 and Zika main proteases (Mpro)
Journal of Biomolecular Structure and Dynamics·2023· 12 cited
Advanced Methods for Natural Products Discovery: Bioactivity Screening, Dereplication, Metabolomics Profiling, Genomic Sequencing, Databases and Informatic Tools, and Structure Elucidation
Marine Drugs·2023· 122 citedOpen Access
Investigating the Structure-Activity Relationship of Laulimalides Marine Macrolides as Promising Inhibitors for SARS-CoV-2 Main Protease (Mpro)
2023· 1 citedOpen Access
Machine Learning for the Prediction of Ionization Potential and Electron Affinity Energies Obtained by Density Functional Theory
ChemistrySelect·2023· 3 cited
Computational Approaches Drive Developments in Immune-Oncology Therapies for PD-1/PD-L1 Immune Checkpoint Inhibitors
International Journal of Molecular Sciences·2023· 19 citedOpen Access
Investigating the hepatoprotective potentiality of marine-derived steroids as promising inhibitors of liver fibrosis
RSC Advances·2023· 15 citedOpen Access
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Frequent Co-authors

Susana P. Gaudêncio(13), João Aires‐de‐Sousa(10), Amr El‐Demerdash(7), Diogo A. R. S. Latino(5), Ana M. Lobo(5), Mohamed A. Tammam(5), Paulina Mata(4), Paula A. Videira(4), Vasco D. B. Bonifácio(3), Omnia Aly(3), Reem K. Arafa(3), Marisa Paulino(2), Inês R. Grilo(2), Rita G. Sobral(2), Alejandra Prieto‐Davó(2), Tiago Dias(2), Sofia E. Gomes(2), Pedro M. Borralho(2), Rui P. S. Fartaria(2), Artur M. S. Silva(2)