Hierarchial model approach and experimental validation for typical drug discovery system dissolution profile predictions (ModelDrug)

The project scientific objectives of the proposed 3-year project are:

1. to define experiment and model variables based on Drug Release Model (DRM) Tablet parameters, DRM calibration, CFD model, and drug release kinetics variables;
2. to develop a surrogate model based on the CFD simulations for USP1 and USP2 dissolution apparatus and develop a kinetic model for predicting drug release profiles;
3. to develop a fast simulation toolkit for rapid reliable targeted drug delivery system design.

The research project will focus on a modelling of a meaningful and predictive dissolution process for drug delivery systems to reduce experimental effort and increase the quality of planning experiments and model building. To implement the ModelDrug Project and to reach a meaningful dissolution process we will use two main factors that influence the processes in the drug delivery: diffusion and dissolution flow around the drug product, and kinetics of dissolution/disintegration. The ModelDrug project will study and model these processes separately and then combine them into one common model. The developed toolkit ModelDrugSmart will be applicable to simplify pharmaceutical manufacturing and future 3D drug release systems.

Outcomes to be achieved

• Four original scientific articles submitted to journals included in WoS/SCOPUS databases;
• participation in at least six international scientific conferences;
• the development of one data set;
• one project proposal application submitted to an international or national research and development project call;
• successful defence of two master's theses.

Project-related activities

Conferences

• Participation in the Fifth International Conference and Summer School on Numerical Computations: Theory and Algorithms (NUMTA 2026), Curinga, Italy. Sabine Upnere delivered an oral presentation entitled “Low-Order Polynomial Models for Accurate Prediction of Paracetamol Release Kinetics” (21-27 June 2026). 
  Conference Abstract Book
• Participation in the RSU International Student Conference 2026 (ISC 2026), Riga, Latvia. Una Lote Vitolina delivered an oral presentation entitled “Beyond the Dissolution Curve: Visualizing Tablet Erosion in 3D” (26-27 March 2026). 
  Conference Abstract Book
• Participation in the RSU International Research Conference "Knowledge for Use in Practice", held within RSU Research Week, with the presentation “Surrogate Models in Pharmaceutical Dissolution Testing: A Case Study” (27 March 2025). 
  Conference Abstract Book
• Participation in the 83rd International Scientific Conference of the University of Latvia with the presentation “Insights into Diffusion-Controlled Dissolution Processes in Solid Dosage Drug Tablets Through LES and Surrogate Models: A Case Study Analysis” (21 February 2025). 
  Conference Abstract Book
• Participation in the 10th BBBB International Conference on Pharmaceutical Sciences, Tartu, Estonia, with the presentation “Uncertainties in Drug Dissolution Tests: Identification and CFD Evaluation of Factors Limiting the Accuracy of the USP2 Test” (12-14 September 2024). 
  Conference Abstract Book
• Participation in the RSU International Student Conference 2024 (ISC 2024), Riga, Latvia. Iluta Zigure delivered an oral presentation entitled “Optimization of Drug Delivery Systems by Modeling Dissolution Processes”. The presentation was awarded 2nd place in the Health Sciences section (Biochemistry/Physiology/Pharmacy/Pharmacology) (21-22 March 2024). 
  Conference Abstract Book
• Participation in the 82nd International Scientific Conference of the University of Latvia, Riga, Latvia, with the presentation “Dissolution in Oral Drug Delivery Systems, Project ModelDrug: Overview and First Results on Custom OpenFOAM CFD Solver Validation” (22 March 2024). 
  Conference Abstract Book
• Participation in the conference organized by the Latvian Pharmacists Association, “Pharmacy Students' Achievements in Research and Current Information from State Institutions for Pharmacy Professionals 2024”. Iluta Zigure delivered an oral presentation entitled “Optimization of Drug Delivery Systems by Modeling Dissolution Processes” (9 February 2024). 

Project-related student theses

• Melisa Krūkle, “Optimization of Drug Release Profiles Using Hydrogel-Based Drug Delivery Systems: Challenges and Perspectives” (defended on 8 May 2026; supervisor: Dr. sc. ing. Agnese Brangule).
• Alinur Ahmadli, “Application of Proper Orthogonal Decomposition for Analyzing Flow Dynamics in a USP2 Dissolution Apparatus” (defended on 22 January 2026; supervisor: Sabine Upnere).
• Iluta Zigure, “Optimization of Drug Delivery Systems by Modeling Dissolution Processes” (defended on 18 May 2025; supervisor: Dr. sc. ing. Agnese Brangule). 

Other activities

• Visit of first-grade pupils from Riga Imanta Secondary School as part of Career Days (hosted by Ance Bārzdiņa, Una Lote Vītoliņa and Daniela Paula Prudņikova) (3 Mar 2025)
• Doctoral student Ance Bārzdiņa visited Riga Secondary School No. 84 to share her experience in science (31 Jan 2025)
• Dr. sc. ing. Agnese Brangule participated in the EURESTOP GENERAL MEETING in Seville, Spain, with the oral presentation Case Study on Enhancing Efficiency and Effort in High Hydrostatic Pressure Sterilization (authors: Anete Vircava, Ingus Skadiņš, Ance Bārzdiņa, Agnese Brangule) (31 Jan 2025)
• The first remote stage of the Baltic Biomaterials Centre of Excellence knowledge competition BIO-GO-Higher took place, with the medical science questions prepared by researchers of the RSU Faculty of Pharmacy (30 Sept - 8 Oct 2024)
• Researchers of the RSU Faculty of Pharmacy (Agnese Brangule, Renāte Teterovska, Ance Bārzdiņa, Anete Vircava and Daniela Paula Prudņikova) participated in Researchers’ Night at the Medical Education Technology Centre, demonstrating various chemical experiments through the activity The Long Journey to a Medicine (27 Sept 2024)
  Researchers' Night 2024 programme
• Agnese Brangule, Lead Researcher at the RSU Faculty of Pharmacy, participated in the panel discussion Artificial Intelligence – Problem Creator or Problem Solver? at the Conference for Teachers of Natural Sciences, Mathematics, Engineering and Technology. (27 Aug 2024)
  Conference Programme
• Dr. Pamela Nylund (AO Research Institute, Switzerland) visited the RSU Faculty of Pharmacy and, together with doctoral student Ance Bārzdiņa and lead researcher Agnese Brangule, investigated antibiotic release from hydrogels (13–17 May 2024)
• The President of the European Commission, Ursula von der Leyen, visited the RSU Faculty of Pharmacy. ModelDrug researchers Ance Bārzdiņa and Daniela Paula Prudņikova presented the latest research developments to the President (15 Apr 2024) 
• At the conference of the Latvian Chemistry Teachers Association, Agnese Brangule, Lead Researcher at the Faculty of Pharmacy, delivered the presentation Research as a Way of Life. During the conference, teachers visited the Faculty of Pharmacy, toured the new premises and explored the modern laboratory equipment (18 Mar 2024)

Media

• "Chemistry Alphabet: The Periodic Table of Elements - An Ever-Changing Collection of Elements”, in Latvian language at LSM.lv, Latvian Radio programme Known in the Unknown (22 Apr 2026).
• Science Needs Crazy Ideas. RSU Researcher Agnese Brangule on “Knocking on Doors”, in Latvian language at LSM.lv (27 Dec 2024).
• How Are Medicinal Plants Studied and Why Are They Important in Medicine? RSU Lecturer Ance Barzdina Explains, in Latvian language at LSM.lv (17 May 2024).