Maria Florbela Bento Martinho de Sá Pereira

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

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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

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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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4 Citations (Scopus)

15 Downloads (Pure)

2023

Advanced Methods for Natural Products Discovery: Bioactivity Screening, Dereplication, Metabolomics Profiling, Genomic Sequencing, Databases and Informatic Tools, and Structure Elucidation

Gaudêncio, S. P., Bayram, E., Lukić Bilela, L., Cueto, M., Díaz-Marrero, A. R., Haznedaroglu, B. Z., Jimenez, C., Mandalakis, M., Pereira, F., Reyes, F. & Tasdemir, D., 19 May 2023, In: Marine Drugs. 21, 5, 66 p., 308.

Research output: Contribution to journal › Review article › peer-review

Open Access

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43 Citations (Scopus)

187 Downloads (Pure)

Computational Approaches Drive Developments in Immune-Oncology Therapies for PD-1/PD-L1 Immune Checkpoint Inhibitors

Sobral, P. S., Luz, V. C. C., Almeida, J. M. G. C. F., Videira, P. A. & Pereira, F., 21 Mar 2023, In: International Journal of Molecular Sciences. 24, 6, 28 p., 5908.

Research output: Contribution to journal › Review article › peer-review

Open Access

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9 Citations (Scopus)

74 Downloads (Pure)

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

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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

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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

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1 Citation (Scopus)

36 Downloads (Pure)

Marine Drug Discovery through Computer-Aided Approaches

Gaudêncio, S. P. & Pereira, F., 17 Aug 2023, In: Marine Drugs. 21, 8, 5 p., 452.

Research output: Contribution to journal › Editorial › peer-review

Open Access

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2 Citations (Scopus)

38 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)

Systematic Review: Drug Repositioning for Congenital Disorders of Glycosylation (CDG)

Brasil, S., Allocca, M., Magrinho, S. C. M., Santos, I., Raposo, M., Francisco, R., Pascoal, C., Martins, T., Videira, P. A., Pereira, F., Andreotti, G., Jaeken, J., Kantautas, K. A., Perlstein, E. O. & Ferreira, V. D. R., 5 Aug 2022, In: International Journal of Molecular Sciences. 23, 15, 19 p., 8725.

Research output: Contribution to journal › Review article › peer-review

Open Access

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11 Citations (Scopus)

100 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

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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

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33 Citations (Scopus)

114 Downloads (Pure)

Have marine natural product drug discovery efforts been productive and how can we improve their efficiency?

Pereira, F., 3 Aug 2019, In: Expert Opinion On Drug Discovery. 14, 8, p. 717-722 6 p.

Research output: Contribution to journal › Editorial › peer-review

Open Access

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65 Citations (Scopus)

58 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)

Molecular Networking to target the isolation of novel isoprenoids derivatives from marine-derived actinomycetes

Bauermeister, A., Pereira, F., Grilo, I., Prieto-davó, A., Sobral, R., Lopes, N. & Gaudêncio, S., 7 Jan 2019, (E-pub ahead of print) In: Frontiers in Marine Science. 5, 10.3389/conf.FMARS.2018.06.00160.

Research output: Contribution to journal › Meeting Abstract › peer-review

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)

Computational methodologies in the exploration of marine natural product leads

Pereira, F. & Aires-de-Sousa, J., 13 Jul 2018, In: Marine Drugs. 16, 7, 236.

Research output: Contribution to journal › Review article › peer-review

Open Access

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77 Citations (Scopus)

342 Downloads (Pure)

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

File

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

2D spatial audio in a molecular navigator/editor for blind and visually impaired users

Rodrigues, I., Teixeira, R., Cavaco, S., Bonifácio, V. D. B., Peixoto, D., Binev, Y., Pereira, F., Lobo, A. M. & Aires-De-Sousa, J., Sept 2017, DAFx 2017 - Proceedings of the 20th International Conference on Digital Audio Effects. University of Edinburgh, p. 360-366 7 p.

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

2 Citations (Scopus)

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)

Polypharmacology of Aconitum and Delphinium sp. Diterpene alka loids: Antiarrhythmic, analgesic and anti-inflammatory effects

Pereira, F., 1 Aug 2017, In: Mini-Reviews in Organic Chemistry. 14, 4, p. 304-310 7 p.

Research output: Contribution to journal › Review article › peer-review

Open Access

20 Citations (Scopus)

2016

A computational approach for the discovery of lead-like compounds for anticancer drugs

Cruz, S. M. & Pereira, F., 2016, In: Frontiers in Marine Science.

Research output: Contribution to journal › Meeting Abstract › peer-review

Open Access

2015

Dereplication: Racing to speed up the natural products discovery process

Matos, S. M. P. G. D. & Pereira, F., 1 Jun 2015, In: Natural Product Reports. 32, 6, p. 779-810 32 p.

Research output: Contribution to journal › Review article › peer-review

217 Citations (Scopus)

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)

A QSAR approach for virtual screening of lead-like molecules en route to antitumor and antibiotic drugs from marine and microbial natural products

Pereira, F., Latino, D. A. & Gaudêncio, S. P., 2014, In: Frontiers in Marine Science. 62, 1 p.

Research output: Contribution to journal › Meeting Abstract › peer-review

Marine actinomycetes from Madeira Archipelago preliminary taxonomic studies

Rodrigues, S., Dias, T., Pereira, F., Santos, I. & Gaudêncio, S. P., 2014, In: Frontiers in Marine Science. 54

Research output: Contribution to journal › Meeting Abstract › peer-review

Open Access

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38 Downloads (Pure)

Phylogenetic and chemical diversity of MAR4 streptomycete lineage

Santos Sanches, I., Pereira, F. & Gaudencio, S. M. P. G. D., 2014.

Research output: Contribution to conference › Poster › peer-review

Open Access

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)

MOLinsight: A Web Portal for the Processing of Molecular Structures by Blind Students

Pereira, F., Bonifácio, V., Lobo, A. M. F. T., Sousa, J. M. A. D. & Mata, M. P. E. N. D., 1 Jan 2011

Research output: Other contribution

Open Access

23 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

Research output

Search results