Igor José dos Santos Nascimento

Universidade Estadual da Paraíba · PB · 50 publicações em 2022–2026

docente de pós-graduaçãoORCID 0000-0002-2664-4336

Computational Drug Discovery MethodsSynthesis and Characterization of Heterocyclic CompoundsHeterocyclic Compound Synthesis and BioactivityResearch on Leishmaniasis StudiesTrypanosoma species research and implications

Programas de pós-graduação (CAPES)

3Ciências farmacêuticasUEPB · docente colaborador (2024)

Principais coautores no Nordeste tamanho = publicações em comum

Ricardo Olímpio de Moura Edeildo Ferreira da Silva‐Júnior Thiago Mendonça de Aquino Francisco Jaime Bezerra Mendonça João Xavier de Araújo‐Júnior Sonaly Lima Albino Karla Joane da Silva Menezes Ana Carolina Justino de Araújo Henrique Douglas Melo Coutinho Misael de Azevedo Teotônio Cavalcanti Priscilla Ramos Freitas Cícera Datiane de Morais Oliveira–Tintino

Orientações concluídas (CAPES)

PLANEJAMENTO, SÍNTESE, AVALIAÇÃO IN SILICO E IN VITRO DE POTENCIAIS FÁRMACOS ANTI-INFLAMATÓRIOS E ANTIASMÁTICOS A PARTIR DE SCAFFOLDS HÍBRIDOS ISATÍNICOS HIDRAZÔNICOS
dissertação · YVNNI MARIA SALES DE MEDEIROS E SILVA · CIÊNCIAS FARMACÊUTICAS · 2024

Publicações recentes

2026 9

QSAR-based drug discovery of 2-((4-Imino-3,4-dihydroquinazolin-2-yl)thio-substituted analogs targeting Mycobacterium tuberculosis
Farmacologia e toxicologia · Bioorganic & Medicinal Chemistry
Bioinformatics in Antifungal Design: Strategies To Overcome Resistance from a Proteomic Perspective
Medicina · Current Fungal Infection Reports
Ensemble Docking, MD, and MM/PBSA Identify Flavonoids as Putative Modulators of EFNB2/B3-Nipah Virus G Interaction
Farmacologia e toxicologia · International Journal of Molecular Sciences
Design, Synthesis, and Antimalarial Evaluation of Novel Quinazolin-4(3 H )-one Derivatives with Molecular Modeling Insights into Target Selectivity
Medicina · ACS Omega
Latest developments in small molecule inhibitors of cysteine protease B as antileishmanial drugs
Medicina · Future Medicinal Chemistry
Indole–thiazole derivatives as schistosomicidal agents against Schistosoma mansoni: synthesis, in vitro and in vivo efficacy, immunomodulation, and in silico interaction with cathepsin B1
Imunologia e microbiologia · Bioorganic Chemistry
Exploring New Targets against Neglected Tropical Diseases and Other Parasites
Imunologia e microbiologia · Current Medicinal Chemistry
In Vitro and In Silico Evaluation of the Potentiating Effect of Thiadiazine Derivatives Against Multidrug-Resistant (MDR) Bacterial Strains
Medicina · Antibiotics
Computational Identification of Potential Novel Allosteric IHF Inhibitors Using QSAR Modeling to Inhibit Plasmid-Mediated Antibiotic Resistance
Farmacologia e toxicologia · International Journal of Molecular Sciences

2025 11

Targeting cysteine protease B to discover antileishmanial drugs: Directions and advances
Medicina · European Journal of Medicinal Chemistry
Synthesis, Biological Evaluation, Molecular Dynamics, and QM-MM Calculation of Spiro-Acridine Derivatives Against Leishmaniasis
Medicina · Microorganisms
Target Selectivity of Cysteine Protease Inhibitors: A Strategy to Address Neglected Tropical Diseases
Medicina · Current Medicinal Chemistry
Assessment of MepA inhibition potential using thiadiazine derivatives through fluorometry, docking, and qPCR
Medicina · Gene Reports
Exploring Subtilisin Inhibition to Discover Antimalarial Drugs: Insights into Medicinal Chemistry and Drug Discovery
Medicina · Pharmaceuticals
Evaluation of the Efflux Pump Inhibition Activity of Thiadiazine-Derived Compounds Against the Staphylococcus aureus 1199B Strain
Medicina · Pharmaceuticals
N-Myristoyltransferase Inhibition in Parasitic Pathogens: Insights from Computer-Aided Drug Design
Farmacologia e toxicologia · Molecules
Design, Synthesis, and Antimalarial Evaluation of New Spiroacridine Derivatives
Medicina · Antibiotics
Nanostructured lipid carriers containing pheophytins derived from Cnidoscolus quercifolius Pohl for photodynamic therapy against breast cancer: isolation, identification, characterization, in vitro activity, and in silico studies
Bioquímica, genética e biologia molecular · Lasers in Medical Science
Current Trends in Drug Discovery Based on Artificial Intelligence and Computer-aided Drug Design: Part I
Farmacologia e toxicologia · Current Topics in Medicinal Chemistry
Current Trends in Drug Discovery Based on Artificial Intelligence and Computer-aided Drug Design: Part II
Farmacologia e toxicologia · Current Topics in Medicinal Chemistry

2024 11

Molecular Dynamics Simulations in Drug Discovery
Farmacologia e toxicologia · Mini-Reviews in Medicinal Chemistry
Anticancer Drug Discovery from Natural Compounds Targeting PI3K/AKT/mTOR Signaling Pathway
Bioquímica, genética e biologia molecular · Current Medicinal Chemistry
Insights to Design New Drugs against Human African Trypanosomiasis Targeting Rhodesain using Covalent Docking, Molecular Dynamics Simulations, and MM-PBSA Calculations
Medicina · Current Computer - Aided Drug Design
From Nature to Drug: Overview and CADD Approach of Anacardic Acid to Propose their Biological Potential
Farmacologia e toxicologia · Current Topics in Medicinal Chemistry
Current trends to design antimalarial drugs targeting N -myristoyltransferase
Medicina · Future Microbiology
A consensus reverse docking approach for identification of a competitive inhibitor of acetyltransferase enhanced intracellular survival protein from Mycobacterium tuberculosis
Farmacologia e toxicologia · Bioorganic & Medicinal Chemistry
Targeting Cysteine and Serine Proteases to Discover New Drugs Against Neglected Tropical Diseases
Imunologia e microbiologia · Current Medicinal Chemistry
Assessment In vitro and In silico of the Activity of Thiadiazines as NorA Efflux Pump Inhibitors
Medicina · Current Microbiology
Evaluating efflux pump inhibition in Staphylococcus aureus 1199B strain using thiadiazine-derived compounds: In vitro and in silico approaches
Medicina · Biochimie
Molecular Dynamics Simulations and Binding Free Energy Calculations to Discover New Insights into NLRP3 Inhibitors
Farmacologia e toxicologia · Letters in Drug Design & Discovery
In silico and in vitro Studies Evaluating the Promising Antiureolytic Activity of Schiff’s Base 4-(3-Hydroxybenzylideneamino)phenol and Its Amine Derivative
Ciências agrárias e biológicas · Journal of the Brazilian Chemical Society

2023 10

Exploring N-myristoyltransferase as a promising drug target against parasitic neglected tropical diseases
Medicina · European Journal of Medicinal Chemistry
ACW-02 an Acridine Triazolidine Derivative Presents Antileishmanial Activity Mediated by DNA Interaction and Immunomodulation
Medicina · Pharmaceuticals
The Power of Molecular Dynamics Simulations and Their Applications to Discover Cysteine Protease Inhibitors
Farmacologia e toxicologia · Mini-Reviews in Medicinal Chemistry
The influence of N-alkyl chains in benzoyl-thiourea derivatives on urease inhibition: Soil studies and biophysical and theoretical investigations on the mechanism of interaction
Bioquímica, genética e biologia molecular · Biophysical Chemistry
Targeting SmCB1: Perspectives and Insights to Design Antischistosomal Drugs
Imunologia e microbiologia · Current Medicinal Chemistry
Overview of the New Bioactive Heterocycles as Targeting Topoisomerase Inhibitors Useful Against Colon Cancer
Bioquímica, genética e biologia molecular · Anti-Cancer Agents in Medicinal Chemistry
Insights on Microsomal Prostaglandin E2 Synthase 1 (mPGES-1) Inhibitors using Molecular Dynamics and MM/PBSA Calculations
Farmacologia e toxicologia · Letters in Drug Design & Discovery
Pharmacokinetic Limitations to Overcome and Enable K777 as a Potential Drug against Chagas Disease
Medicina · Current Pharmaceutical Design
C-KIT Receptor Inhibition as a Promising Approach to Design Anticancer Drugs
Imunologia e microbiologia · Current Medicinal Chemistry
Computer-aided Drug Design against Emerging Viruses: Part II
Farmacologia e toxicologia · Current Topics in Medicinal Chemistry

2022 9

The New Era of Drug Discovery: The Power of Computer-aided Drug Design (CADD)
Farmacologia e toxicologia · Letters in Drug Design & Discovery
Advances in Computational Methods to Discover New NS2B-NS3 Inhibitors Useful Against Dengue and Zika Viruses
Farmacologia e toxicologia · Current Topics in Medicinal Chemistry
Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CL pro : A Study by Applying Virtual Screening, Molecular Dynamics, MM-PBSA Calculations and Covalent Docking
Farmacologia e toxicologia · Letters in Drug Design & Discovery
Computer-Aided Drug Design of Anti-inflammatory Agents Targeting Microsomal Prostaglandin E2Synthase-1 (mPGES-1)
Farmacologia e toxicologia · Current Medicinal Chemistry
Strategies in Medicinal Chemistry to Discover New Hit Compounds against Ebola Virus: Challenges and Perspectives in Drug Discovery
Medicina · Mini-Reviews in Medicinal Chemistry
Medicinal Chemistry of Inhibitors Targeting Resistant Bacteria
Medicina · Current Topics in Medicinal Chemistry
Would the Development of a Multitarget Inhibitor of 3CLpro and TMPRSS2 be Promising in the Fight Against SARS-CoV-2?
Medicina · Medicinal Chemistry
2-(Pyridin-4yl)benzothiazole and Its Benzimidazole-Analogue: Biophysical and in silico Studies on Their Interaction with Urease and in vitro Anti-Helicobacter pylori Activities
Bioquímica, genética e biologia molecular · Journal of the Brazilian Chemical Society
Computer-aided Drug Design against Emerging Viruses: Part I
Farmacologia e toxicologia · Current Topics in Medicinal Chemistry

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