Peptides
Database
Machine-learning algorithms
Protein structure
Molecular dynamics
1853
Scholar Citations
20
Scholar h-index
30
Scholar i10-index
RECENT SCHOLAR PUBLICATIONS
Unraveling the Molecular Inhibition and Conformational Changes of Hsp70 and Hsc70 Induced by VER-155008, a Competitive ATPase Inhibitor through Molecular Dynamics Simulations … MC Barbosa da Silva, CGS Falabelo, ES Leonardo, C Oliveira, ... ACS omega 10 (51), 62529-62542 , 2025 2025
Role of peptides in skeletal muscle wasting: A scoping review P Naumovski, B De Spiegeleer, A Wakjira, C Van De Wiele, V Mouly, ... Journal of cachexia, sarcopenia and muscle 16 (6), e70109 , 2025 2025 Citations: 5
Molecular evolution of the granule-bound starch synthase in flowering plants ES Leonardo, K Santana, T André Plant Molecular Biology Reporter 43 (3), 1319-1341 , 2025 2025 Citations: 1
Green synthesis, physicochemical characterization, and biological evaluation of silver nanoparticles obtained from aqueous extract of pineapple peel (Ananas comosus) MMR Azevedo, CR Bressan, LP Ferreira, CB S. Torres, YVS Oliveira, ... Chemical Papers 79 (8), 4981-4997 , 2025 2025 Citations: 2
Beyond Molecular Weight: Peptide Characteristics Influencing the Sensitivity of Retention to Changes in Organic Solvent in Reversed-Phase Chromatography A Descamps, H Hirmz, E de Oliveira, A De Spiegeleer, J Feio, K da Costa, ... ACS omega 10 (25), 27089-27097 , 2025 2025 Citations: 1
Combining in silico and in vitro approaches for understanding the mechanism of action of the galactomannan extracted from Cassia grandis seeds against colorectal cancer PBS de Albuquerque, LFS Ramos, MIJ da Silva Dantas, ... International Journal of Biological Macromolecules 284, 137909 , 2025 2025 Citations: 3
Rational Approach to New Chemical Entities with Antiproliferative Activity on Ab1 Tyrosine Kinase Encoded by the BCR-ABL Gene: An Hierarchical … VHS Sanches, CC Lobato, LB Silva, IVF Dos Santos, ES Barros, ... Pharmaceuticals 17 (11), 1491 , 2024 2024 Citations: 4
Investigating molecular descriptors in cell-penetrating peptides prediction with deep learning: Employing N, O, and hydrophobicity according to the Eisenberg scale JAS Feio, ECL de Oliveira, J Claudomiro de Souza de Sales, KS da Costa, ... Plos one 19 (6), e0305253 , 2024 2024 Citations: 3
Investigating molecular descriptors in cell-penetrating peptides prediction with deep learning: Employing N, O, and hydrophobicity according to the Eisenberg scale JA Seixas Feio, ECL de Oliveira, CS de Sales, KS da Costa, AHL e Lima PLOS ONE 19 (6), e0305253 , 2024 2024 Citations: 3
Role of UDP‐N‐acetylmuramic acid in the regulation of MurA activity revealed by molecular dynamics simulations MVD de Oliveira, KS da Costa, JRA Silva, J Lameira, AH Lima Protein Science 33 (4), e4969 , 2024 2024 Citations: 3
BrainPepPass: A framework based on supervised dimensionality reduction for predicting blood-brain barrier-penetrating peptides ECL de Oliveira, H Hirmz, E Wynendaele, JA Seixas Feio, IMS Moreira, ... Journal of Chemical Information and Modeling 64 (7), 2368-2382 , 2023 2023 Citations: 10
Comparative analysis of the reactivity of anthocyanidins, leucoanthocyanidins, and flavonols using a quantum chemistry approach SA de Souza Farias, KS da Costa, JBL Martins Journal of Molecular Modeling 29 (4), 93 , 2023 2023 Citations: 12
Assessment of host–guest molecular encapsulation of eugenol using β-cyclodextrin CAB Freitas, CHS Costa, KS da Costa, SPA da Paz, JRA Silva, CN Alves, ... Frontiers in chemistry 10, 1061624 , 2023 2023 Citations: 22
Structural changes and adaptative evolutionary constraints in FLOWERING LOCUS T and TERMINAL FLOWER1-like genes of flowering plants D Almeida de Jesus, DM Batista, EF Monteiro, S Salzman, LM Carvalho, ... Frontiers in genetics 13, 954015 , 2022 2022 Citations: 7
First report on the Annona exsucca DC. Essential oil and in silico identification of potential biological targets of its major compounds MM Cascaes, SG Silva, JN Cruz, M Santana de Oliveira, J Oliveira, ... Natural Product Research 36 (15), 4009-4012 , 2022 2022 Citations: 46
Advances in UDP-N-acetylglucosamine enolpyruvyl transferase (MurA) covalent inhibition MVD De Oliveira, RM Furtado, KS Da Costa, S Vakal, AH Lima Frontiers in molecular biosciences 9, 889825 , 2022 2022 Citations: 20
Physicochemical characterization and antioxidant activity of honey samples of Apis mellifera and different species of Meliponinae subfamily from the Brazilian … VV Gomes, AMP Bandeira, KPS Cordovil, JR Bandeira Filho, F Braghini, ... Food Science and Technology 42, e114921 , 2022 2022 Citations: 13
Encapsulation of essential oils by spray-drying: antimicrobial activity, and applications in food preservation LD do Nascimento, KS da Costa, MM Cascaes, EH de Aguiar Andrade Essential Oils: Applications and Trends in Food Science and Technology, 101-121 , 2022 2022 Citations: 6
Host-guest inclusion complexes of natural products and nanosystems: Applications in the development of repellents GA Pena, AS da Costa Lopes, SHS de Morais, LD do Nascimento, ... Molecules 27 (8), 2519 , 2022 2022 Citations: 10
Biological Membrane-Penetrating Peptides: Computational Prediction and Applications ECL de Oliveira, KS da Costa, PS Taube, AH Lima Front. Cell. Infect. Microbiol. 12: 838259. doi: 10.3389/fcimb , 2022 2022 Citations: 51
MOST CITED SCHOLAR PUBLICATIONS
Bioactive natural compounds and antioxidant activity of essential oils from spice plants: New findings and potential applications L Diniz do Nascimento, AAB Moraes, KS Costa, JM Pereira Galúcio, ... Biomolecules 10 (7), 988 , 2020 2020 Citations: 569
Predicting cell-penetrating peptides using machine learning algorithms and navigating in their chemical space ECL de Oliveira, K Santana, L Josino, AH Lima e Lima, ... Scientific reports 11 (1), 7628 , 2021 2021 Citations: 144
Analysis of Conformational, Structural, Magnetic, and Electronic Properties Related to Antioxidant Activity: Revisiting Flavan, Anthocyanidin, Flavanone, Flavonol, Isoflavone … SA de Souza Farias, KS da Costa, JBL Martins ACS omega 6 (13), 8908-8918 , 2021 2021 Citations: 143
Exploring the potentiality of natural products from essential oils as inhibitors of odorant-binding proteins: A structure-and ligand-based virtual screening approach to find … KS da Costa, JM Galúcio, CHS da Costa, AR Santana, ... ACS omega 4 (27), 22475-22486 , 2019 2019 Citations: 97
Applications of virtual screening in bioprospecting: facts, shifts, and perspectives to explore the chemo-structural diversity of natural products K Santana, LD Do Nascimento, A Lima e Lima, V Damasceno, C Nahum, ... Frontiers in Chemistry 9, 662688 , 2021 2021 Citations: 93
Assessment of the PETase conformational changes induced by poly (ethylene terephthalate) binding CHS da Costa, AM Dos Santos, CN Alves, S Martí, V Moliner, K Santana, ... Proteins: Structure, Function, and Bioinformatics 89 (10), 1340-1352 , 2021 2021 Citations: 83
In silico analyses of toxicity of the major constituents of essential oils from two Ipomoea L. species OS da Silva Júnior, CJP Franco, AAB de Moraes, JN Cruz, KS da Costa, ... Toxicon 195, 111-118 , 2021 2021 Citations: 62
Biological Membrane-Penetrating Peptides: Computational Prediction and Applications ECL de Oliveira, KS da Costa, PS Taube, AH Lima Front. Cell. Infect. Microbiol. 12: 838259. doi: 10.3389/fcimb , 2022 2022 Citations: 51
Measuring the structural impact of mutations on cytochrome P450 21A2, the major steroid 21-hydroxylase related to congenital adrenal hyperplasia JN Cruz, KS da Costa, TAA de Carvalho, NAN de Alencar Journal of Biomolecular Structure and Dynamics , 2020 2020 Citations: 50
First report on the Annona exsucca DC. Essential oil and in silico identification of potential biological targets of its major compounds MM Cascaes, SG Silva, JN Cruz, M Santana de Oliveira, J Oliveira, ... Natural Product Research 36 (15), 4009-4012 , 2022 2022 Citations: 46
Synthesis, characterization, applications, and toxicity of green synthesized nanoparticles JMP Galúcio, SGB de Souza, AA Vasconcelos, AKO Lima, KS da Costa, ... Current pharmaceutical biotechnology 23 (3), 420-443 , 2022 2022 Citations: 45
Drying Effects on Chemical Composition and Antioxidant Activity of Lippia thymoides Essential Oil, a Natural Source of Thymol LD Nascimento, SG Silva, MM Cascaes, KS Costa, PLB Figueiredo, ... Molecules 26 (9), 2621 , 2021 2021 Citations: 42
Analysis of kojic acid derivatives as competitive inhibitors of tyrosinase: a molecular modeling approach R Cardoso, R Valente, CH Souza da Costa, JL da S. Gonçalves Vianez Jr, ... Molecules 26 (10), 2875 , 2021 2021 Citations: 36
Targeting shikimate pathway: In silico analysis of phosphoenolpyruvate derivatives as inhibitors of EPSP synthase and DAHP synthase MD de Oliveira, JO Araujo, JMP Galúcio, K Santana, AH Lima Journal of Molecular Graphics and Modelling 101, 107735 , 2020 2020 Citations: 30
Structural analysis of viral infectivity factor of HIV type 1 and its interaction with A3G, EloC and EloB KS da Costa, E Leal, AM dos Santos, AH Lima e Lima, CN Alves, ... PLoS One 9 (2), e89116 , 2014 2014 Citations: 29
In silico identification of natural products with anticancer activity using a chemo-structural database of Brazilian biodiversity JM Galúcio, EF Monteiro, DA de Jesus, CH Costa, RC Siqueira, ... Computational biology and chemistry 83, 107102 , 2019 2019 Citations: 24
Investigation of the target-site resistance of EPSP synthase mutants P106T and T102I/P106S against glyphosate ECM Fonseca, KS da Costa, J Lameira, CN Alves, AH Lima RSC advances 10 (72), 44352-44360 , 2020 2020 Citations: 23
Assessment of host–guest molecular encapsulation of eugenol using β-cyclodextrin CAB Freitas, CHS Costa, KS da Costa, SPA da Paz, JRA Silva, CN Alves, ... Frontiers in chemistry 10, 1061624 , 2023 2023 Citations: 22
Structural and evolutionary analysis of Leishmania Alba proteins KS da Costa, JMP Galúcio, ES Leonardo, G Cardoso, É Leal, G Conde, ... Molecular and biochemical parasitology 217, 23-31 , 2017 2017 Citations: 21
Advances in UDP-N-acetylglucosamine enolpyruvyl transferase (MurA) covalent inhibition MVD De Oliveira, RM Furtado, KS Da Costa, S Vakal, AH Lima Frontiers in molecular biosciences 9, 889825 , 2022 2022 Citations: 20
