List of works - Florbela Pereira

1D 13C-NMR data as molecular descriptors in spectra--structure relationship analysis of oligosaccharides.

scientific article

A Computer-Aided Drug Design Approach to Predict Marine Drug-Like Leads for SARS-CoV-2 Main Protease Inhibition

scientific article published on 10 December 2020

A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Infection Therapy

scientific article published on 28 December 2018

A Ligand-Based Approach to the Discovery of Lead-Like Potassium Channel KV 1.3 Inhibitors

A chemoinformatics approach to the discovery of lead-like molecules from marine and microbial sources en route to antitumor and antibiotic drugs.

scientific article published on 27 January 2014

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

scientific article published in 2023

Antifouling Napyradiomycins from Marine-Derived Actinomycetes Streptomyces aculeolatus

scientific article published on 18 January 2020

Computational Methodologies in the Exploration of Marine Natural Product Leads

article published in 2018

Correction to Sonified Infrared Spectra and Their Interpretation by Blind and Visually Impaired Students

scientific article published on 16 October 2013

Dereplication: racing to speed up the natural products discovery process.

scientific article published on June 2015

Encapsulation of sodium nimesulide and precursors in beta-cyclodextrin

scientific article published in March 2003

Estimation of Mayr electrophilicity with a quantitative structure-property relationship approach using empirical and DFT descriptors

scientific article published on 21 October 2011

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

scientific article published on 15 April 2019

In Silico HCT116 Human Colon Cancer Cell-Based Models En Route to the Discovery of Lead-Like Anticancer Drugs

scientific article published on 17 July 2018

Interactions of Omeprazole and Precursors withbeta-Cyclodextrin Host Molecules

article

Intra‐clade metabolomic profiling of MAR4 Streptomyces from the Macaronesia Atlantic region reveals a source of anti‐biofilm metabolites

scientific article published on 22 February 2019

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

article published in 2011

Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals.

scientific article published on 29 December 2016

Machine learning for the prediction of molecular dipole moments obtained by density functional theory

scientific article published on 22 August 2018

NavMol 2.0- A Molecular Structure Navigator/Editor for Blind and Visually Impaired Users

article published in 2013

NavMol 3.0: enabling the representation of metabolic reactions by blind users

scientific article published on 13 September 2017

Polypharmacology of Aconitum and Delphinium sp. Diterpene Alka loids: Antiarrhythmic, Analgesic and Anti-Inflammatory Effects

article published in 2017

Predicting Antifouling Activity and Acetylcholinesterase Inhibition of Marine-Derived Compounds Using a Computer-Aided Drug Design Approach

scientific article published in 2022

Prediction of the anomeric configuration, type of linkage, and residues in disaccharides from 1D (13)C NMR data