Artificial-Intelligence Bio-Inspired Peptide for Salivary Detection of SARS-CoV-2 in Electrochemical Biosensor Integrated with Machine Learning Algorithms.
Marcelo Augusto Garcia-Junior, Bruno Silva Andrade, Ana Paula Lima, Iara Pereira Soares, Ana Flávia Oliveira Notário, Sttephany Silva Bernardino, Marco Fidel Guevara-Vega, Ghabriel Honório-Silva, Rodrigo Alejandro Abarza Munoz, Ana Carolina Gomes Jardim, Mário Machado Martins, Luiz Ricardo Goulart, Thulio Marquez Cunha, Murillo Guimarães Carneiro, Robinson Sabino-Silva
Author Information
Marcelo Augusto Garcia-Junior: Department of Physiology, Laboratory of Nanobiotechnology-Dr. Luiz Ricardo Goulart, Innovation Center in Salivary Diagnostic and Nanobiotechnology, Institute of Biomedical Sciences, Federal University of Uberlandia (UFU), Uberlândia 38408-100, Brazil. ORCID
Bruno Silva Andrade: Department of Biological Sciences, Laboratory of Bioinformatics and Computational Chemistry, State University of Southwest of Bahia (UESB), Jequié 45205-490, Brazil. ORCID
Ana Paula Lima: Department of Physiology, Laboratory of Nanobiotechnology-Dr. Luiz Ricardo Goulart, Innovation Center in Salivary Diagnostic and Nanobiotechnology, Institute of Biomedical Sciences, Federal University of Uberlandia (UFU), Uberlândia 38408-100, Brazil.
Iara Pereira Soares: Post-Graduation Program in Genetics and Biochemistry, Laboratory of Nanobiotechnology-Dr Luiz Ricardo Goulart, Federal University of Uberlândia (UFU), Uberlândia 38408-100, Brazil.
Ana Flávia Oliveira Notário: Post-Graduation Program in Genetics and Biochemistry, Laboratory of Nanobiotechnology-Dr Luiz Ricardo Goulart, Federal University of Uberlândia (UFU), Uberlândia 38408-100, Brazil.
Sttephany Silva Bernardino: Department of Physiology, Laboratory of Nanobiotechnology-Dr. Luiz Ricardo Goulart, Innovation Center in Salivary Diagnostic and Nanobiotechnology, Institute of Biomedical Sciences, Federal University of Uberlandia (UFU), Uberlândia 38408-100, Brazil.
Marco Fidel Guevara-Vega: Department of Physiology, Laboratory of Nanobiotechnology-Dr. Luiz Ricardo Goulart, Innovation Center in Salivary Diagnostic and Nanobiotechnology, Institute of Biomedical Sciences, Federal University of Uberlandia (UFU), Uberlândia 38408-100, Brazil.
Ghabriel Honório-Silva: Department of Physiology, Laboratory of Nanobiotechnology-Dr. Luiz Ricardo Goulart, Innovation Center in Salivary Diagnostic and Nanobiotechnology, Institute of Biomedical Sciences, Federal University of Uberlandia (UFU), Uberlândia 38408-100, Brazil.
Rodrigo Alejandro Abarza Munoz: Institute of Chemistry, Federal University of Uberlândia (UFU), Uberlândia 38408-100, Brazil. ORCID
Ana Carolina Gomes Jardim: Institute of Biosciences, Languages, and Exact Sciences (Ibilce), São Paulo State University (Unesp), São José do Rio Preto 15054-000, Brazil. ORCID
Mário Machado Martins: Department of Physiology, Laboratory of Nanobiotechnology-Dr. Luiz Ricardo Goulart, Innovation Center in Salivary Diagnostic and Nanobiotechnology, Institute of Biomedical Sciences, Federal University of Uberlandia (UFU), Uberlândia 38408-100, Brazil. ORCID
Luiz Ricardo Goulart: Department of Physiology, Laboratory of Nanobiotechnology-Dr. Luiz Ricardo Goulart, Innovation Center in Salivary Diagnostic and Nanobiotechnology, Institute of Biomedical Sciences, Federal University of Uberlandia (UFU), Uberlândia 38408-100, Brazil. ORCID
Thulio Marquez Cunha: Department of Pulmonology, School of Medicine, Federal University of Uberlandia (UFU), Uberlândia 38408-100, Brazil.
Murillo Guimarães Carneiro: Faculty of Computing, Federal University of Uberlandia (UFU), Uberlândia 38408-100, Brazil. ORCID
Robinson Sabino-Silva: Department of Physiology, Laboratory of Nanobiotechnology-Dr. Luiz Ricardo Goulart, Innovation Center in Salivary Diagnostic and Nanobiotechnology, Institute of Biomedical Sciences, Federal University of Uberlandia (UFU), Uberlândia 38408-100, Brazil.
Developing affordable, rapid, and accurate biosensors is essential for SARS-CoV-2 surveillance and early detection. We created a bio-inspired peptide, using the SAGAPEP AI platform, for COVID-19 salivary diagnostics via a portable electrochemical device coupled to Machine Learning algorithms. SAGAPEP enabled molecular docking simulations against the SARS-CoV-2Spike protein's RBD, leading to the synthesis of Bio-Inspired Artificial Intelligence Peptide 1 (BIAI1). Molecular docking was used to confirm interactions between BIAI1 and SARS-CoV-2, and BIAI1 was functionalized on rhodamine-modified electrodes. Cyclic voltammetry (CV) using a [Fe(CN)] solution detected virus levels in saliva samples with and without SARS-CoV-2. Support vector machine (SVM)-based machine learning analyzed electrochemical data, enhancing sensitivity and specificity. Molecular docking revealed stable hydrogen bonds and electrostatic interactions with RBD, showing an average affinity of -250 kcal/mol. Our biosensor achieved 100% sensitivity, 80% specificity, and 90% accuracy for 1.8 × 10⁴ focus-forming units in infected saliva. Validation with COVID-19-positive and -negative samples using a neural network showed 90% sensitivity, specificity, and accuracy. This BIAI1-based electrochemical biosensor, integrated with machine learning, demonstrates a promising non-invasive, portable solution for COVID-19 screening and detection in saliva.
