Umberto Laino Fulco

Universidade Federal do Rio Grande do Norte · RN · 51 publicações em 2022–2026

docente de pós-graduaçãobolsa de produtividade 2ORCID 0000-0002-4528-9878

Computational Drug Discovery MethodsAdvanced Chemical Physics StudiesTheoretical and Computational PhysicsStochastic processes and statistical mechanicsMolecular Junctions and Nanostructures

Programas de pós-graduação (CAPES)

5BioinformáticaUFRN · docente permanente (2024)4Bioquímica e biologia molecularUFRN · docente permanente (2024)

Principais coautores no Nordeste tamanho = publicações em comum

Jonas Ivan Nobre Oliveira Katyanna Sales Bezerra Maria Karolaynne da Silva Gabriela de Lima Menezes Edilson Dantas da Silva Gabriel Christian de Farias Morais Daniel Melo de Oliveira Campos João Firmino Rodrigues-Neto Gabriel Vinícius Rolim Silva Davi Serradella Vieira José Xavier Neto Washington Sales Clemente

Orientações concluídas (CAPES)

BIOQUÍMICA QUÂNTICA DE INTERAÇÕES LIGANTE-PROTEÍNA ENTRE POTENCIAIS AGENTES ANTI MALÁRICOS E AS ENZIMAS DHODH E TYRRS DO PLASMODIUM FALCIPARUM
tese · ARANTHYA HEVELLY DE LIMA COSTA · BIOQUÍMICA E BIOLOGIA MOLECULAR · 2023
OS EFEITOS INDISCRIMINADO DOS ESTEROIDES ANABOLIZANTES ANDROGÊNICOS NO SISTEMA CARDIOVASCULAR E SUA ANÁLISE POR BIOQUÍMICA QUÂNTICA
tese · ANA CAMILA CAMPELO DE ALBUQUERQUE NUNES · BIOQUÍMICA E BIOLOGIA MOLECULAR · 2023
INVESTIGAÇÃO DE COMPLEXOS PROTEÍNA-LIGANTE POR MÉTODOS DE BIOQUÍMICA QUÂNTICA E EVOLUÇÃO MOLECULAR
tese · EMMANUEL DUARTE BARBOSA · BIOINFORMÁTICA · 2022

Publicações recentes

2026 12

Structure-based drug design of sanguinarine derivatives targeting Babesia microti lactate dehydrogenase through computational approaches
Farmacologia e toxicologia · Journal of Molecular Graphics and Modelling
Comparative pharmacoinformatic and quantum descriptor insights from BFM/GBTLI guidelines to phase I/II compounds for acute lymphoblastic leukemia (ALL)
Farmacologia e toxicologia · Scientific Reports
Pharmacokinetics, quantum chemistry, and molecular modeling analysis of six potential drug candidates for Chagas disease: posaconazole, K777, phenarimol derivative, BZTS, isoxazole analog, and derivative of 4-arylaminonoline-3-carbonitrile
Farmacologia e toxicologia · Future Microbiology
Quantum‐Chemical Evaluation of the Interaction Between the Mycobacterium tuberculosis Dihydrofolate Reductase Enzyme With Classical and Potential Inhibitors
Farmacologia e toxicologia · Chemistry & Biodiversity
Computational identification of conserved dengue virus envelope protein epitopes for vaccine design and immunodiagnostic platform
Bioquímica, genética e biologia molecular · Scientific Reports
Unveiling the binding mechanism of orexin 2 receptor antagonists with computational chemistry
Farmacologia e toxicologia · Physical Chemistry Chemical Physics
MFCC–DFT mapping of ligand recognition at the 5-HT 2A receptor: energetic analysis of the interactions between serotonin, psychedelics, and antipsychotics
Farmacologia e toxicologia · Physical Chemistry Chemical Physics
Targeting Amastigote and Trypomastigote Phases: Multi‐Epitope Vaccine Strategy Against Trypanosoma cruzi
Bioquímica, genética e biologia molecular · Biotechnology and Applied Biochemistry
Quantum Biochemistry Insights into Ligand Recognition at the a 1A -Adrenoceptor
Bioquímica, genética e biologia molecular · ACS Omega
Unveiling the binding ballet: A molecular dynamics study on caffeic acid interaction with Ilhéus virus NS2B-NS3 protease complex
Farmacologia e toxicologia · Brazilian Journal of Pharmaceutical Sciences
DFT analysis of gamma-secretase interactions with potential inhibitors: therapeutic for Alzheimer's disease
Neurociência · Physical Chemistry Chemical Physics
Comparative Evidence-Weighted In Silico Toxicity Profiling of the SARS-CoV-2 Main Protease Inhibitors Ensitrelvir and Nirmatrelvir
Farmacologia e toxicologia · COVID

2025 9

Toxicological insights and safety considerations of vorasidenib in grade 2 astrocytoma and oligodendroglioma
Farmacologia e toxicologia · International Journal of Surgery
Therapeutic Perspectives of SIRT6 Regulation: Computational Analysis of Activation and Inhibition by Bioactive Molecules
Medicina · Journal of Molecular Recognition
Screening of Secondary Metabolites with Synergistic Potential Associated with Amoxicillin: An In Vitro and In Silico Approach
Ciências agrárias e biológicas · Current Microbiology
Eugenol as a synergistic adjuvant to conventional antibiotics against multidrug-resistant Klebsiella pneumoniae: An integrated in vitro and quantum-based in silico approach
Ciências agrárias e biológicas · Microbial Pathogenesis
Comprehensive evaluation of potential EBOV inhibitors using advanced molecular modeling techniques: implications for anti-Ebola therapeutics and rational drug design
Farmacologia e toxicologia · Future Journal of Pharmaceutical Sciences
Perampanel monotherapy in pediatric epilepsy: Emphasizing the need for comprehensive safety evaluation
Medicina · Epilepsia Open
α-Pinene and β-Pinene as Natural Adjuvants Against MRSA: Evidence from in vivo Models and Molecular Docking
Ciências agrárias e biológicas · Current Microbiology
Hops (Humulus lupulus L.) compounds against two tropical infectious diseases: Chikungunya and Oropouche virus (Bunyavirales)
Ciências agrárias e biológicas · Phytochemistry Letters
Immunoinformatic profiling of parvovirus B19 VP1/VP2 epitopes: relevance to surgical transfusion safety
Bioquímica, genética e biologia molecular · International Journal of Surgery

2024 14

Quantum mechanics insights into melatonin and analogs binding to melatonin MT1 and MT2 receptors
Farmacologia e toxicologia · Scientific Reports
Advancing molecular modeling and reverse vaccinology in broad-spectrum yellow fever virus vaccine development
Bioquímica, genética e biologia molecular · Scientific Reports
The search for an antiviral lead molecule to combat the neglected emerging Oropouche virus
Medicina · Current Research in Microbial Sciences
Quantum biochemical analysis of the binding interactions between a potential inhibitory drug and the Ebola viral glycoprotein
Farmacologia e toxicologia · Journal of Biomolecular Structure and Dynamics
Investigation of protein-protein interactions and hotspot region on the NSP7-NSP8 binding site in NSP12 of SARS-CoV-2
Medicina · Frontiers in Molecular Biosciences
A robust computational quest: Discovering potential hits to improve the treatment of pyrazinamide‐resistant Mycobacterium tuberculosis
Farmacologia e toxicologia · Journal of Cellular and Molecular Medicine
A newly discovered circovirus and its potential impact on human health and disease
Bioquímica, genética e biologia molecular · International Journal of Surgery
Quantum biochemical analysis of the TtgR regulator and effectors
Medicina · Scientific Reports
In Silico Comparative Analysis of Ivermectin and Nirmatrelvir Inhibitors Interacting with the SARS-CoV-2 Main Protease
Farmacologia e toxicologia · Biomolecules
Quantum mechanical analysis of newly synthesized HIV-1 protease inhibitors: evaluation of wild-type and resistant strain binding interactions
Farmacologia e toxicologia · Physical Chemistry Chemical Physics
Computational antigenic insights into the novel NADC-34-like Porcine Reproductive and Respiratory Syndrome Virus (PRRSV) isolate YC-2020
Bioquímica, genética e biologia molecular · Veterinary Immunology and Immunopathology
Atomoxetine: toxicological aspects of a new treatment for attention deficit hyperactivity disorder in Brazil
Medicina · Trends in Psychiatry and Psychotherapy
Investigating whether H5N1 is a risk to human populations in Brazil
Medicina · Revista da Sociedade Brasileira de Medicina Tropical
Identification of novel influenza virus H3N2 nucleoprotein inhibitors using most promising epicatechin derivatives
Farmacologia e toxicologia · Computational Biology and Chemistry

2023 9

Advances of Reverse Vaccinology for mRNA Vaccine Design against SARS-CoV-2: A Review of Methods and Tools
Bioquímica, genética e biologia molecular · Viruses
Acridones as promising drug candidates against Oropouche virus
Medicina · Current Research in Microbial Sciences
Antiviral Activity and Molecular Dynamics Simulation of Hops Compounds against Oropouche Virus (Peribunyaviridae)
Ciências agrárias e biológicas · Pharmaceutics
Exploring Quercetin Hydrate’s Potential as an Antiviral Treatment for Oropouche Virus
Ciências agrárias e biológicas · Biophysica
Deciphering Interactions between Potential Inhibitors and the Plasmodium falciparum DHODH Enzyme: A Computational Perspective
Farmacologia e toxicologia · The Journal of Physical Chemistry B
Modafinil: A closer look at its theoretical toxicological potential
Farmacologia e toxicologia · Journal of Psychopharmacology
Toxicological Potential of the FDA-Approved Treatment against Monkeypox. Comment on Zovi et al. Pharmacological Agents with Antiviral Activity against Monkeypox Infection. Int. J. Mol. Sci. 2022, 23, 15941
Imunologia e microbiologia · International Journal of Translational Medicine
Beyond pharmaceuticals: The untapped potential of homeopathy in the battle against COVID-19
Medicina · EXPLORE
Raman Spectroscopy of a Biosignature for an Early Diagnosis of Alzheimer's Disease Via DFT
Bioquímica, genética e biologia molecular · SSRN Electronic Journal

2022 6

Exploiting reverse vaccinology approach for the design of a multiepitope subunit vaccine against the major SARS-CoV-2 variants
Bioquímica, genética e biologia molecular · Computational Biology and Chemistry
Losartan as an ACE inhibitor: a description of the mechanism of action through quantum biochemistry
Medicina · RSC Advances
Computational vaccinology guided design of multi-epitope subunit vaccine against a neglected arbovirus of the Americas
Bioquímica, genética e biologia molecular · Journal of Biomolecular Structure and Dynamics
Exploring the Spike-hACE 2 Residue–Residue Interaction in Human Coronaviruses SARS-CoV-2, SARS-CoV, and HCoV-NL63
Medicina · Journal of Chemical Information and Modeling
In silico analysis of energy interactions between nociceptin/orfanin FQ receptor and two antagonists with potential antidepressive action
Farmacologia e toxicologia · New Journal of Chemistry
Moving targets: COVID-19 vaccine efficacy against Omicron subvariants
Medicina · Molecular Therapy

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