Maria Florbela Bento Martinho de Sá Pereira

Emailflorbela.pereirafct.unlpt, mf.pereirafct.unlpt

Accepting PhD Students

PhD projects

1) MARin-silico: A chemoinformatics exploration of spectral and quantum chemistry patterns for the discovery of new drug leads from marine natural products.
2) A Machine Learning Platform to Support the Rationalization and Design of Materials and Drugs
3) New generation of DCs based on the optimization of the manufacturing method with chemoinformatics tools

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Research activity per year

35 Article
6 Review article
4 Meeting Abstract
2 Editorial
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35 results

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2024

Assessing the Potential of 1,2,3-Triazole-Dihydropyrimidinone Hybrids Against Cholinesterases: In Silico, In Vitro, and In Vivo Studies
Gastalho, C. M., Sena, A. M., López, Ó., Fernández-Bolaños, J. G., García-Sosa, A. T., Pereira, F., Antunes, C. M., Costa, A. R., Burke, A. J. & Carreiro, E. P., Oct 2024, In: International Journal of Molecular Sciences. 25, 20, 11153.
Research output: Contribution to journal › Article › peer-review

Open Access
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4 Downloads (Pure)
Deciphering the potential of Cymbopogon citratus (DC.) Stapf as an anti-obesity agent: phytochemical profiling, in vivo evaluations and molecular docking studies
Aly, O., Mekky, R. H., Pereira, F., Diab, Y. M., Tammam, M. A. & El-Demerdash, A., 2024, (Accepted/In press) In: Food and Function.
Research output: Contribution to journal › Article › peer-review

Open Access
File

1 Citation (Scopus)
Design of Promising Thiazoloindazole-Based Acetylcholinesterase Inhibitors Guided by Molecular Docking and Experimental Insights
Laghchioua, F. E., da Silva, C. F. M., Pinto, D. C. G. A., Cavaleiro, J. A. S., Mendes, R. F., Paz, F. A. A., Faustino, M. A. F., Rakib, E. M., Neves, M. G. P. M. S., Pereira, F. & Moura, N. M. M., 7 Aug 2024, In: Acs Chemical Neuroscience. 15, 15, p. 2853-2869 17 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File

2 Citations (Scopus)

2 Downloads (Pure)
Investigating the antiviral therapeutic potentialities of marine polycyclic lamellarin pyrrole alkaloids as promising inhibitors for SARS-CoV-2 and Zika main proteases (Mpro)
Pereira, F., Bedda, L., Tammamd, M. A., Alabdullahe, A. K., Arafab, R. & El-Demerdash, A., 2024, In: Journal Of Biomolecular Structure & Dynamics. 42, 8, p. 3983–4001 19 p.
Research output: Contribution to journal › Article › peer-review
7 Citations (Scopus)
Investigating the Structure-Activity Relationship of Laulimalides Marine Macrolides as Promising Inhibitors for SARS-CoV-2 Main Protease (Mpro)
Elgohary, A. M., Elfiky, A. A., Pereira, F., Gamal El-Din, M. I., Tammam, M. A., Aouidate, A. & El-Demerdash, A., 30 Oct 2024, In: Journal of Computational Biophysics and Chemistry. p. 1-17 17 p.
Research output: Contribution to journal › Article › peer-review
Unveiling the potential of marine-derived diterpenes from the order Alcyonacea as promising anti-obesity agents
Tammam, M. A., Aly, O., Pereira, F., Mahdy, A. & El-Demerdash, A., Jan 2024, In: Current Research in Biotechnology. 7, 17 p., 100175.
Research output: Contribution to journal › Article › peer-review

Open Access
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5 Citations (Scopus)

15 Downloads (Pure)
2023
Discovery of thiazolo [5,4-c] isoquinoline based compounds as acetylcholinesterase inhibitors through computational target prediction, molecular docking and bioassay
Costa, L. D., Silva, C. F. M., Pinto, D. C. G. A., Silva, A. M. S., Pereira, F., Faustino, M. A. F. & Tomé, A. C., 5 Nov 2023, In: Journal Of Molecular Structure. 1291, 8 p., 136088.
Research output: Contribution to journal › Article › peer-review

Open Access
File
5 Citations (Scopus)

53 Downloads (Pure)
Investigating the hepatoprotective potentiality of marine-derived steroids as promising inhibitors of liver fibrosis
Pereira, F., Tammam, M. A., Aly, O., Sebak, M., Diab, Y. M., Mahdy, A. & El-Demerdash, A., 13 Sept 2023, In: RSC Advances. 13, 39, 14 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
6 Citations (Scopus)

18 Downloads (Pure)
Machine Learning for the Prediction of Ionization Potential and Electron Affinity Energies Obtained by Density Functional Theory
Pereira, F., 25 Apr 2023, In: ChemistrySelect. 8, 16, e202300036.
Research output: Contribution to journal › Article › peer-review

Open Access
File
1 Citation (Scopus)

36 Downloads (Pure)
2022
A computer-aided drug design approach to discover tumour suppressor p53 protein activators for colorectal cancer therapy
Patrício, R. P. S., Videira, P. A. & Pereira, F., 1 Jan 2022, In: Bioorganic and Medicinal Chemistry. 53, 116530.
Research output: Contribution to journal › Article › peer-review
6 Citations (Scopus)
Investigating the structure-activity relationship of marine polycyclic batzelladine alkaloids as promising inhibitors for SARS-CoV-2 main protease (M^pro)
Elgohary, A. M., Elfiky, A. A., Pereira, F., Abd El-Aziz, T. M., Sobeh, M., Arafa, R. K. & El-Demerdash, A., Aug 2022, In: Computers in Biology and Medicine. 147, 13 p., 105738.
Research output: Contribution to journal › Article › peer-review
10 Citations (Scopus)
Predicting Antifouling Activity and Acetylcholinesterase Inhibition of Marine-Derived Compounds Using a Computer-Aided Drug Design Approach
Gaudêncio, S. P. & Pereira, F., 8 Feb 2022, In: Marine Drugs. 20, 2, 129.
Research output: Contribution to journal › Article › peer-review

Open Access
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15 Citations (Scopus)

89 Downloads (Pure)
2021
Machine Learning Methods to Predict the Terrestrial and Marine Origin of Natural Products
Pereira, F., 30 Mar 2021, In: Molecular Informatics. 40, p. 1-15 14 p., 2060034.
Research output: Contribution to journal › Article › peer-review
6 Citations (Scopus)
Machine learning prediction of UV–Vis spectra features of organic compounds related to photoreactive potential
Mamede, R., Pereira, F. & Aires-de-Sousa, J., Dec 2021, In: Scientific Reports. 11, 1, 23720.
Research output: Contribution to journal › Article › peer-review

Open Access
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20 Citations (Scopus)

70 Downloads (Pure)
2020
A Computer-Aided Drug Design Approach to Predict Marine Drug-Like Leads for SARS-CoV-2 Main Protease Inhibition
Gaudêncio, S. P. & Pereira, F., 10 Dec 2020, In: Marine Drugs. 18, 12, p. 1-17 17 p., 633.
Research output: Contribution to journal › Article › peer-review

Open Access
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25 Citations (Scopus)

33 Downloads (Pure)
Antifouling napyradiomycins from marine-derived actinomycetes streptomyces aculeolatus
Pereira, F., Almeida, J. R., Paulino, M., Grilo, I. R., Macedo, H., Cunha, I., Sobral, R. G., Vasconcelos, V. & Gaudêncio, S. P., 18 Jan 2020, In: Marine Drugs. 18, 1, 63.
Research output: Contribution to journal › Article › peer-review

Open Access
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47 Citations (Scopus)

109 Downloads (Pure)
Machine learning methods to predict the crystallization propensity of small organic molecules
Pereira, F., 28 Apr 2020, In: CrystEngComm. 22, 16, p. 2817-2826 10 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
13 Citations (Scopus)

26 Downloads (Pure)
2019
A computer-driven approach to discover natural product leads for methicillin-resistant staphylococcus aureus infection therapy ^†
Dias, T., Gaudêncio, S. P. & Pereira, F., 1 Jan 2019, In: Marine Drugs. 17, 1, 16.
Research output: Contribution to journal › Article › peer-review

Open Access
File
33 Citations (Scopus)

114 Downloads (Pure)
Intra-clade metabolomic profiling of MAR4 Streptomyces from the Macaronesia Atlantic region reveals a source of anti-biofilm metabolites
Bauermeister, A., Pereira, F., Grilo, I. R., Godinho, C. C., Paulino, M., Almeida, V., Gobbo-Neto, L., Prieto-Davó, A., Sobral, R. G., Lopes, N. P. & Gaudêncio, S. P., 1 Mar 2019, In: Environmental Microbiology. 21, 3, p. 1099-1112 14 p.
Research output: Contribution to journal › Article › peer-review
39 Citations (Scopus)
2018
A Ligand-Based Approach to the Discovery of Lead-Like Potassium Channel K_V1.3 Inhibitors
Pereira, G., Szwarc, B., Mondragão, M. A., Lima, P. A. & Pereira, F., 7 Feb 2018, In: ChemistrySelect. 3, 5, p. 1352-1364 13 p.
Research output: Contribution to journal › Article › peer-review
2 Citations (Scopus)
In silico HCT116 human colon cancer cell-based models en route to the discovery of lead-like anticancer drugs
Cruz, S., Gomes, S. E., Borralho, P. M., Rodrigues, C. M. P., Gaudêncio, S. P. & Pereira, F., 1 Sept 2018, In: Biomolecules. 8, 3, 56.
Research output: Contribution to journal › Article › peer-review

Open Access
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28 Citations (Scopus)

113 Downloads (Pure)
Machine learning for the prediction of molecular dipole moments obtained by density functional theory
Pereira, F. & Aires-de-Sousa, J., 1 Dec 2018, In: Journal of Cheminformatics. 10, 1, 43.
Research output: Contribution to journal › Article › peer-review
35 Citations (Scopus)
NavMol 3.0: Enabling the representation of metabolic reactions by blind users
Binev, Y., Peixoto, D., Pereira, F., Rodrigues, I., Cavaco, S., Lobo, A. M. & Aires-De-Sousa, J., 1 Jan 2018, In: Bioinformatics. 34, 1, p. 120-121 2 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
3 Citations (Scopus)

41 Downloads (Pure)
2017
Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals
Pereira, F., Xiao, K., Latino, D. A. R. S., Wu, C., Zhang, Q. & Aires-De-Sousa, J., 23 Jan 2017, In: Journal of Chemical Information and Modeling. 57, 1, p. 11-21 11 p.
Research output: Contribution to journal › Article › peer-review
150 Citations (Scopus)
2015
Exploration of quantitative structure-reactivity relationships for the estimation of Mayr nucleophilicity
Latino, D. A. R. S. & Pereira, F., 1 Jun 2015, In: Helvetica Chimica Acta. 98, 6, p. 863-879 17 p.
Research output: Contribution to journal › Article › peer-review
3 Citations (Scopus)
QSAR-assisted virtual screening of lead-like molecules from marine and microbial natural sources for antitumor and antibiotic drug discovery
Pereira, F., Latino, D. A. R. S. & Matos, S. M. P. G. D., 1 Mar 2015, In: Molecules. 20, 3, p. 4848-4873 26 p.
Research output: Contribution to journal › Article › peer-review

Open Access
28 Citations (Scopus)
2014
A chemoinformatics approach to the discovery of lead-like molecules from marine and microbial sources en route to antitumor and antibiotic drugs
Pereira, F., Latino, D. A. R. S. & Matos, S. M. P. G. D., Feb 2014, In: Marine Drugs. 12, 2, p. 757-778 22 p.
Research output: Contribution to journal › Article › peer-review

Open Access
31 Citations (Scopus)
2013

NavMol 2.0 - A Molecular Structure Navigator/Editor for Blind and Visually Impaired Users
Pereira, F., Bonifácio, V., Lobo, A. M. F. T., Sousa, J. M. A. D. & Mata, M. P. E. N. D., 1 Jan 2013, In: European Journal of Organic Chemistry. NA, 8, p. 1415-1419
Research output: Contribution to journal › Article › peer-review

Open Access

8 Citations (Scopus)
Sonified Infrared Spectra and Their Interpretation by Blind and Visually Impaired Students
Pereira, F., Bonifácio, V., Lobo, A. M. F. T., Sousa, J. M. A. D. & Mata, M. P. E. N. D., 1 Jan 2013, In: Journal of Chemical Education. 90, 8, p. 1028-1031
Research output: Contribution to journal › Article › peer-review

Open Access

26 Citations (Scopus)
Sonified Infrared Spectra and Their Interpretation by Blind and Visually Impaired Students (vol 90, pg 1028, 2013)
Pereira, F., Bonifácio, V., Lobo, A. M. F. T., Sousa, J. M. A. D. & Mata, M. P. E. N. D., 1 Jan 2013, In: Journal of Chemical Education. 90, 11, p. 1567-1567
Research output: Contribution to journal › Article › peer-review

Open Access
2012
1D ¹³C-NMR data as molecular descriptors in spectra - Structure relationship analysis of oligosaccharides
Pereira, F., 1 Apr 2012, In: Molecules. 17, 4, p. 3818-3833 16 p.
Research output: Contribution to journal › Article › peer-review

Open Access
4 Citations (Scopus)
2011

Estimation of Mayr Electrophilicity with a Quantitative Structure-Property Relationship Approach Using Empirical and DFT Descriptors
Pereira, F. & Sousa, J. M. A. D., 1 Jan 2011, In: Journal of Organic Chemistry. 76, 22, p. 9312-9319
Research output: Contribution to journal › Article › peer-review

Open Access

24 Citations (Scopus)
Prediction of the anomeric configuration, type of linkage, and residues in disaccharides from 1D (13)C NMR data
Pereira, F., 1 Jan 2011, In: Carbohydrate Research. 346, 7, p. 960-972
Research output: Contribution to journal › Article › peer-review

Open Access

6 Citations (Scopus)
2009

Desenvolvimentos no Ensino da Química a Cegos e a Grandes Amblíopes
Pereira, F., Lobo, A. M. F. T., Sousa, J. M. A. D. & Mata, M. P. E. N. D., 1 Jan 2009, In: Boletim da Sociedade de Química. 112, NA, p. 7-15
Research output: Contribution to journal › Article › peer-review
2003
Interactions of omeprazole and precursors with β-cyclodextrin host molecules
Braga, S. S., Ribeiro-Claro, P., Pillinger, M., Gonçalves, I. S., Fernandes, A. C., Pereira, F., Romão, C. C., Correia, P. B. & Teixeira-Dias, J. J. C., 1 Oct 2003, In: Journal of Inclusion Phenomena. 47, 1-2, p. 47-52 6 p.
Research output: Contribution to journal › Article › peer-review
17 Citations (Scopus)

Maria Florbela Bento Martinho de Sá Pereira

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