Bruno Victor graduated in Biochemistry from the Faculty of Sciences and Technology of the University of Coimbra in 2001. After two years as a research student under the supervision of Prof. Claudio Soares, he began his PhD at ITQB-UNL, focusing on the application of molecular modelling and simulation methods to study electron transfer proteins involved in O2 and NO metabolism. Following his PhD, he remained at ITQB-UNL as a postdoctoral researcher, where he investigated the functional activity of hemagglutinin and its peptide fragments in Influenza virus infection. During this period, he was awarded an HPC Europe 2 fellowship, enabling him to join the Xavier Daura lab in Barcelona as a visiting researcher, with access to advanced computational infrastructures such as the Barcelona Supercomputing Center. In 2012, he joined BSIM Therapeutics as a computational research scientist, contributing to the development of computational methodologies, ranging from chemoinformatics to quantum mechanics, to support drug discovery targeting transthyretin-related amyloid diseases. He was also involved in multiple drug discovery projects as an outsourced computational scientist, collaborating with companies such as GenePrediT and BiosolveIT, and contributing to the development of therapeutic agents aimed at preventing ATTR fibril formation. He subsequently pursued academic research at the University of Coimbra and the University of Lisbon. Between 2019 and 2023, he served as an Assistant Researcher at BioISI, where he coordinated the Structure-Based Drug Discovery group, supervising 1 postdoctoral researcher, 3 PhD students, 13 MSc theses, and 5 undergraduate students. He coordinated several competitively funded projects, including the FCT project PTDC/BIA-BFS/28419/2017 and a BioISI project (2020 call), and more recently Advanced Computing Projects funded by FCT (2025.00038.CPCA.A3 and 2025.07857.CPCA.A2). He also participated in multiple FCT-funded projects, leading the computational components, and collaborated with Lhasa and BiosolveIT in software development initiatives. In 2023, he joined Zymvol Biomodeling (Barcelona, Spain), and in 2024 moved to CoLAB AccelBio, where he led the Computational Medicinal Chemistry unit, contributing to ongoing drug discovery programs and the development of new computational strategies. Since December 2025, he has been a Coordinating Professor at the Escola Superior de Engenharia e Tecnologias of the Instituto Politécnico da Lusofonia, where he is developing his academic career and consolidating his research group in Structure-Based Drug Discovery. He has authored 41 peer-reviewed publications and holds 3 patents. His research focuses on Computational Biochemistry, Biophysics, and Medicinal Chemistry, with a strong emphasis on integrating computational and experimental approaches. Throughout his career, he has collaborated with more than 100 researchers across academia and industry.
Preprint:
2025-03-27. Design, Synthesis and Evaluation of New Inhibitors of DNA G4 Unfolding by DHX36 helicase
Book chapter:
(2021). Identification of Pan Assay INterference compoundS (PAINS) using an MD-Based Protocol. Computational Design of Membrane Proteins. Springer US
Online resource:
2023-02. Multiple Acyl-CoA Dehydrogenase Deficiency (MADD) | Rare Disease Day 2023 (Public Outreach Institucional video). https://www.youtube.com/watch?v=8-2E6l26V8g
Conference abstract:
2022-07-12. COMPUTER-ASSISTED DESIGN OF INDOLOISOQUINOLINES AS POTENTIAL NEW ANTICANCER DRUGS. CQUL 5th Meeting - Forging Bonds
2022. Biochemical studies on the effect of non-enzymatic succinylation of electron transfer flavoprotein. FEBS OPEN BIO
2020-01-11. Improving the druggability of Aquaporin-1 for future drug discovery campaigns. EJIBCE 2019
Conference poster:
2025-12-16. Preventing TrkB-FL Loss: A Small Molecule Approach to Target Alzheimer’s Disease and Epilepsy. 3D-BIOINFO-PT Annual Meeting
2025-06-23. Identification of Key Titratable Residues Mediating pH Regulation in hAQP7. Protein Electrostatics Conference (2025)
2025-06-23. Structure-Guided Discovery of Small Molecules to Prevent TrkB-FL Cleavage in Alzheimer’s Disease and Epilepsy. Protein Electrostatics Conference 2025
2024-12-20. Setting up a reliable model to study the structure and function of aquaporins using MD simulations. 3D-BioInfo-PT Meeting (2024)
2024-07-07. New indolo[3,2-c]isoquinolines to target c-MYC G4 – DHX36 helicase interaction. 9th EuChemS
2024-07-05. Design, synthesis and evaluation of new small molecules to target c-MYC G4-DHX36 helicase interaction. 20th RSC Nucleic Acids
2024-06-05. Optimizing the membrane protein system size for realistic MD simulations. European South Atlantic Biophysics Congress 2024
2024-05-09. Adjusting the lipid patch size to improve the realism and efficiency of membrane protein MD simulations. Biophysics Festival 2024
2024-01-23. c-MYC G-quadruplex stabilization by 5-amino-8-chloro-11H-indolo[3,2-c]isoquinoline derivatives: in vitro and in silico studies.. 15th ENQO & 8th ENQT
2023-12-18. Evaluation of the most appropriate bilayer membrane size for the simulation of AQPs. 3D-BioInfo-PT Meeting (2023)
2023-11-14. Development of a new hybrid therapeutic agent against malaria by targeting the Aquaglyceroporin from plasmodium spp. 7ª Conferência Anual da redeSAÚDE
2023-07-31. Potential regulatory role of succinylation on electron transfer flavoprotein, a key protein in mitochondrial metabolism. EBSA Congress 2023
2023-07-13. Development of new antimalarial therapies based on the permeation of solutes through PfAQP. 3rd Chem&Biochem Students Meeting
2023-07. Unveiling the Functional Role of TGR5 in Fat-to-Liver Communication: Discovery of Novel Agonists. 3rd Chem&BioChem Students Meeting
2023-06. Functional role of TGR5 in fat-to-liver communication during non-alcoholic fatty liver disease. 2nd Meeting of the Portuguese Network on Extracellular Vesicles
2023-06. Unveiling Promising TGR5 Agonists for NAFLD Treatment through Structure-Based Virtual Screening. 14th iMed.ULisboa Meeting
2023-06. Structure-based virtual screening campaign identifies novel potential TGR5 agonists for the treatment of obesity-associated NAFLD. Jornadas Científicas da ULisboa
2023-05. Structure-based virtual screening campaign identifying new promising TGR5 agonists to treat obesity-associated NAFLD. LEAPS Meets Life Sciences Conference
2022-12-22. Molecular docking and synthesis of indoloisoquinoline bioisosters as new cancer therapeutics. 3D-BioInfo-PT Annual Meeting
2022-12-21. Probing the Anti-sickling Power of Distinct Drugs in Sickle Cell Disease. 3D-BioInfo-PT Meeting
2022-08. Non-enzymatic succinylation of electron transfer flavoprotein ¿ potential implications on multiple acyl-CoA dehydrogenase deficiency. SSIEM Annual Symposium 2022
2022-07-15. Identification, design and synthesis of novel indoloisoquinolines inhibitors of c-myc:G4-helicase interaction. 2nd Chem&BioChem - Universidade de Lisboa
2022-07-15. In Silico identification and Synthesis of C-MYC G4 and Helicase Interaction Inhibitors. 2nd Chem & Biochem Student Meetings
2022-07-12. Computer-assisted design of insoloisoquinolines as potential new anticancer drugs. 5MCQUL
2022-07-11. Development of a hybrid antimalarial therapy based on the permeation of glycerol derivatives through PfAQP. The Biochemistry Global Summit
2022-07-04. Development of c-MYC:G4-helicase interaction inhibitors. 5th Imed Meeting
2022-07-04. Studies towards the synthesis of 5-NH2 and 11N-substituted indoloisoquinolines. 13th iMED ULisboa Postgraduate Students Meeting
2022-06. Computer-assisted design of indoloisoquinolines as potential DNAG4-Helicase interaction inhibitors. Jornadas Científicas da Universidade de Lisboa, Faculdade de Farmacia
2022-04-20. Computer-assisted design of indoloisoquinoline as potential DNAG4-Helicase interaction inhibitors. 14th National Organic Chemistry Meeting & 7th National Medicinal Chemistry Meeting
2021-12-20. Identification of membrane PAINS via an optimized computational protocol. 8th EJIBCE, Coimbra, Portugal
2021-12-20. Design of Indoloisoquinoline derivatives as potential inhibitors of the interaction between c-MYC:G4 and helicase. EJIBCE
2021-12-20. Development of new computational workflow for the identification of hAQP5 modulators. VIII EJIBCE
2021-12-20. Computational Screening and Design of G-quadruplex Ligands Targeting c-MYC in Breast Cancer. The Meeting of Young Investigators in Structural Computational Biology (EJIBCE) 2021, IIIV Edition (Portugal, Coimbra)
2021-12-20. First steps towards the identification of a new hybrid antimalarial therapeutic agent targeting PfAQP. EJIBCE
2021-09. Structural impact of succinylation on Electron Transfer Flavoprotein function. 17th International Symposium of SPDM
2021-07-09. Binding of (Iso)Quinolinyl-Pyridine-2,6-dicarboxamide ligands to G-quadruplexes: a computational approach. iMed.Ulisboa Meeting 2021( ipSC),
2021-06-30. Identification of new human AQP5 inhibitors using computational and experimental approaches. iMed.ULisboa Meeting 2021
2021-04-23. Development of a Novel Computational Protocol for the Identification of Membrane PAINS. Computer Simulation and Theory of Macromolecules, Hunfeld Online Workshop
2021-04-23. Targeting Aquaporin-1 to Identify New Anti-Cancer Therapies. Hünfeld 2021: Workshop on Computer Simulation and Theory of Macromolecules
2021. Screening of aquaporin-5 modulators with anticancer properties. Hünfeld 2021: Workshop on Computer Simulation and Theory of Macromolecules
2021. Identification of new and innovative human AQP5 inhibitors using computational and experimental approaches. Imed.ULisboa meeting
2020-10-28. Speeding-up the identification of membrane PAINS with a new computational approach. Ciências Research Day
2019-12-20. Refining an umbrella-sampling protocol to describe membrane PAINS. EJIBCE 2019 (7th Encontro de Jovens Investigadores de Biologia Computacional Estrutural), Lisboa, Portugal
2019-12-20. Structural characterization of Aquaporin-1 and evaluation of a PMF based protocol to determine water permeability rates. EJIBCE 2019 (7th Encontro de Jovens Investigadores de Biologia Estrutural Compucacional), Lisboa, Portugal
2019-07-20. Computational Characterization of Membrane PAINS. Joint 12th EBSA 10th ICBP-IUPAP Biophysics Congress, Madrid, Spain
2019-07-20. Computational prediction of water permeability rates in Aquaporin-1. Joint 12th EBSA congress 10th ICBP-IUPAP Congress, Madrid, Spain
2019-06-11. Optimization of a computational protocol to characterize membrane PAINS. Workshop on Integrative Approaches to Protein Folding & Aggregation, Lisboa, Portugal
2018-07. Rational design, synthesis and biological evaluation of inhibitors of transthyretin amyloidogenesis: optimization of thiazolidinedione-based derivatives. . Italian-Spanish-Portuguese Joint Meeting in Medicinal Chemistry, MedChemSicily2018
2018-07. Rational design, synthesis and biological evaluation of inhibitors of transthyretin amyloidogenesis: Optimization of Thiazolinedione-based Derivatives. Italian-Spanish-Portuguese Joint Meeting in Medicinal Chemistry (Palermo, Italy)
2018-01. Highly active 2-thioxothiazolidin-4-one derivatives for transthyretin protein stabilization and amyloid fibril inhibition,. 12º Encontro Nacional de Química Orgânica / 5º Encontro Nacional de Química Terapêutica - Coimbra.
2018-01. Discovery of 2-thioxothiazolidin-4-ones as potent transthyretin stabilizers: a story of pride and prejudice in the quest for a better drug. 12º Encontro Nacional de Química Orgânica / 5º Encontro Nacional de Química Terapêutica, Janeiro de 2018, Coimbra.
2017-05-15. Evaluating GROMOS force fields without the twin-range cutoff scheme. Free Energy Calculations from Molecular Simulation: Aplications in Life and Medical Sciences
2013-12-20. AMILOTERA ¿ Discovery and optimization of novel therapeutic agents against transthyretin-related amyloid diseases. I Meeting of Young Researchers on Structural Computational Biology - EJIBCE
2013-12. AMILOTERA ¿ Discovery and optmization of novel therapeutic agents against transthyretyn-related amyloid diseases. Young Researchers Meeting of Computational Structural Biology, Porto, Portugal
2013-12. AMILOTERA ¿ Discovery and optmizaton of novel therapeutic agents against transthyretin-related amyloid diseases,. Encontro de Jovens Investigadores de Biologia Computacional e Estrutural (EJIBCE 2013), Porto.
Patent:
Genetic markers and treatment of male obesity
SMALL MOLECULE TRANSTHYRETIN STABILIZERS AND USES THEREOF
2-THIOXOTHIAZOLIDIN-4-ONE DERIVATIVES ACTIVE AS TRANSTHYRETIN LIGANDS AND USES THEREOF
Other output:
2021-12-07. Optimization of an in silico protocol to characterize membrane PAINS
