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MolDrug

MolDrug

Investigación

Paterna, Comunidad Valenciana / Comunitat Valenciana 711 seguidores

Chemoinformatics and modeling solutions to optimize your drug candidates.

Sobre nosotros

MolDrug (a ProtoQSAR company) is a group specializing in the design and optimization of molecules through Machine Learning-powered chemoinformatics and structural bioinformatics. Our models allow for the prediction of molecular properties (QSAR) and detailed interaction analyses (molecular modelling). We work with all types of compounds, including small molecules, peptides, nanomaterials, mixtures… Our tools allow for the prediction and assessment of physicochemical, biological, pharmacological, and/or (eco)toxicological properties of substances with an array of advantages: - faster results - saving money and resources - reduce animal testing (3 Rs) - regulatory validity (REACH, CLP, ICH, BPR…) Our technology is optimized for both the chemical sector (including regulatory toxicology) and the pharma/biotech/drug development sector (including nutraceuticals, cosmetics, and veterinary).

Sector
Investigación
Tamaño de la empresa
De 2 a 10 empleados
Sede
Paterna, Comunidad Valenciana / Comunitat Valenciana
Tipo
Empresa propia
Fundación
2018
Especialidades
QSAR, Molecular modelling, Chemoinformatics, In silico services, Molecular docking, Virtual screening, ADME, Toxicology, Ecotoxicology, Nanoinformatics, CADD, Peptides, Cosmetics, Nutraceuticals, Drug discovery y Computer-Assisted Drug Discovery

Ubicaciones

Empleados en MolDrug

Actualizaciones

  • MolDrug ha compartido esto

    El pasado jueves 13 de marzo tuvo lugar en AINIA el evento «Inteligencia Artificial aplicada a la industria: oportunidades y casos de éxito», una oportunidad para conocer de primera mano cómo la inteligencia artificial está impulsando el cambio en la industria y cómo las empresas pueden liderar el futuro mediante la innovación. Nuestro #CEO, Rafael Gozalbes, participó en la mesa redonda «La influencia de la IA en el desarrollo y el lanzamiento de nuevos productos al mercado», aportando su visión sobre el impacto de la #IA en la industria #farmacéutica y #biotecnológica. Además, nuestra compañera Idoia Álvarez Ajuria, #PhD Student en nuestra empresa vinculada MolDrug, también asistió al evento.

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  • 📣 Want to know us better? At MolDrug AI Systems we combine artificial intelligence, molecular modeling, and omics to accelerate the discovery of bioactive molecules and biomarkers. Our mission is clear: to integrate scientific knowledge with computational methods to advance in health and nutrition research. In our team, chemists, biotechnologists, engineers, and pharmacists work together, supported by experts in business development and communication, to find the optimal and personalized solution for each aim. The discovery of new biomarkers and bioactive compounds is a key challenge in addressing health issues, improving nutrition, and optimizing the world we live in. Our AI-based tools allow us to accelerate and optimize the analysis of huge databases and complex matrices, identifying promising compounds and bringing innovative therapies closer to those who need them most. We are always looking for strategic partners in the #pharmaceutical, #biotechnology, and #agrofood industries to continue driving innovation in health and nutrition. If you share our vision, let’s talk! You can write us an email at ➡️ info@moldrug.com

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  • 🚨 PhD Position Available! 🚨 We are looking for a highly motivated PhD candidate to join an exciting EU-funded interdisciplinary project on inflammation and cancer at La Rochelle Université (France), in collaboration with the University of Calgary (Canada) and MolDrug AI Systems (Spain). 🔬 Project focus: ✅ Drug discovery: Designing novel dual inhibitors targeting HPSE1 and MT1-MMP. ✅ Computational & experimental research: Structure-based drug design, QSAR, proteomics, and cell-based assays. ✅ Therapeutic potential: Developing innovative and cost-effective anti-inflammatory agents. 🎯 Who can apply? 🔹 Master’s degree in chemistry, biochemistry, or related fields. 🔹 Strong interest in drug design, proteomics, bioinformatics, and cell biology. 🔹 Must comply with the Marie Sklodowska-Curie mobility rule. 📍 Location: La Rochelle Université, France 📅 Application deadline: 15 March 2025 📄 More details & full application process: https://lnkd.in/dMm84g2y

  • International Day of Women and Girls in Science (#11F) 👩🔬  When we were kids, we all had different ideas about what we wanted to be. Today, the researchers at our company apply computational tools to fields such as drug discovery or agrochemistry working on QSAR models, molecular simulations, and omics data analysis. On this day, we highlight their stories to show the many paths in STEM and why representation matters. What did you want to be as a child? Let us know in the comments! 🚀🔬💡

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  • ¡MolDrug AI Systems ya es oficialmente miembro de BIOVAL Clúster BIO Comunidad Valenciana! 🚀 La semana pasada asistimos a la Asamblea General de BIOVAL, donde se ratificó nuestra incorporación al clúster bio de la Comunidad Valenciana. En representación de MolDrug, nuestro Investigador Senior y Responsable de Comunicación, Laureano E. Carpio, tuvo la oportunidad de presentar nuestra empresa al resto de socios y conectar con otras compañías del sector. Nos acompañó nuestra empresa vinculada, ProtoQSAR, representada por su especialista en comunicación Ana Ambit, reforzando así nuestra sinergia dentro del ecosistema biotech. Formar parte de BIOVAL nos permite seguir creciendo, compartir conocimientos y contribuir a la promoción del sector biotecnológico en nuestra región. ¡Estamos encantados de dar este paso y seguir avanzando juntos! 💡🔬

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  • Biomarkers and metabolomics: shaping the future of personalized medicine #Biomarkers are biological indicators used to detect, diagnose, or predict diseases and evaluate treatment responses. They can be genes, proteins, or metabolites, and their identification is key to advancing toward more precise and personalized medicine. #Metabolomics plays a crucial role in the search for these biomarkers. This field analyzes the metabolites present in biological fluids, enabling us to better understand the disrupted pathways in the body during diseases or treatments. One of the projects MolDrug is working on is #BioCardioMetab (Code: INNTA3/2024/3), we leverage these cutting-edge tools to tackle a critical challenge: identifying #cardiotoxicity biomarkers associated with #cancer treatments. We will harness #NuclearMagneticResonance (#NMR) to analyze plasma samples from cancer patients with high analytical precision to achieve this goal. This will allow us to detect #cardiovascular effects of #oncology drugs at an early stage, enabling preventive interventions and improving the safety of cancer treatments. If you want to learn more about the project, visit our website: https://lnkd.in/dGDWCS_P #FEDER #RetoIvaceInnova

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    711 seguidores

    🇪🇸Desde MolDrug queremos aprovechar estas fechas para agradecer a todos nuestros colaboradores y amigos por su confianza y apoyo a lo largo de este año 2024 🤝 Nos despedimos de este año que ha sido de un gran crecimiento para nosotros con optimismo y grandes expectativas para el 2025✨. ¡Que disfrutéis de un cierre de año lleno de buenos momentos! 🎆 🇬🇧 At MolDrug, we want to take this opportunity to thank all our collaborators and friends for their trust and support throughout 2024 🤝. We bid farewell to a year of great growth with optimism and high expectations for 2025✨. Wishing you a wonderful end to the year filled with joyful moments! 🎆

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  • Desde MolDrug nos gustaría compartir algunos resultados de un proyecto llamado #BioCODES. BioCODES nace con el objetivo de desarrollar nuevas herramientas biotecnológicas para el control, vigilancia y prevención de infecciones relacionadas con la asistencia sanitaria (#IRAS), así como de las infecciones nosocomiales en espacios hospitalarios críticos. Hasta el momento, hemos logrado desarrollar 7 modelos #QSAR definitivos capaces de predecir la actividad antimicrobiana de compuestos químicos frente a Aspergillus fumigatus, Mycobacterium tuberculosis, Klebsiella pneumoniae, Bacillus subtilis, Staphylococcus aureus y Pseudomonas aeruginosa. Próximamente, continuaremos ampliando la batería predictiva antimicrobiana y biocida con nuevos modelos. Este proyecto cuenta con la financiación de la Instituto Valenciano de Competitividad e Innovación IVACE +i (Generalitat Valenciana) y la Unión Europea. #FEDER #RetoIvaceInnova

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    711 seguidores

    The One Health approach recognizes the interconnection between humans, animals, plants, and the environment shared by all, and promotes interdisciplinarity within the joint actions. The goal is to protect the whole system and maintain the global health. It is a complex and not always clear venture, due to the interconnection in the different systems, the ever-growing population, the different human crises happening in the world, and the lack of political will. However, #OneHealth was designed to help implement policies that facilitate conversations between multiple sectors to achieve better policy outcomes, including public and private organizations, research and political organisms, and regulatory agencies. In this line, ProtoQSAR and MolDrug AI Systems are working on identifying new sustainable candidates for antimicrobial solutions to be used such as biocidal paints, new disinfectants or conservants in foods as it is being done in #Paint4IRAS, #BioCODES, funded by IVACE+i Innovación Cadena de Valor program, and #COMPU-FOOD projects, respectively. Moreover, to guarantee ecological and human safety #(eco)toxicological predictions are consistently performed. At ProtoQSAR and MolDrug we believe in the urgency of application of the One Health approach not only for identifying new antimicrobials but also to reinforce the surveillance and readiness protocols in case of a new health crisis caused by climate change, wars, or environmental negligence.

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    711 seguidores

    Did you know that... Cardiotoxicity induced by oncological drugs is a crucial challenge in the fight against cancer? Several cancer treatments, such as #chemotherapy and #targetedtherapies, can impact heart health and lead to #cardiotoxicity. Thus, while treating cancer, these drugs can also damage heart tissue, causing effects such as #heartfailure and #arrhythmias. Therefore, early detection of cardiotoxicity is essential for adapting treatments and safeguarding the heart health of cancer patients. In this context, we are working on the project #BIOCARDIOMETAB in collaboration with the Vall d’Hebron Institute of Research (VHIR) - Vall d'Hebron Institut de Recerca and funded by IVACE+i Innovación Innodocto program (INNTA3/2024/3), with a financial allocation of 39.015€. The study is focused on identifying #biomarkers of cardiotoxicity in patients with #breast cancer and #hepatocellularcarcinoma. These biomarkers will contribute to predicting more accurately each patient's cardiac risk and enable the customization of treatments to minimize heart-related side effects- Research into cardiotoxicity not only deepens our understanding of these risks but is also crucial for advancing to safer and more effective therapies in the fight against #cancer. #FEDER #RetoIvaceInnova

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Financiación

MolDrug 1 ronda en total

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