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Computer-Aided Design of Ionic Liquids as Active Pharmaceutical Ingredients

Objective

The drug discovery and development process is lengthy, costly, and fraught with high risks, often leading to a low success rate for new chemical entities (NCEs) from discovery through to market approval. A major challenge in advancing many NCEs is their poor bioavailability, primarily dictated by solubility and dissolution rates. Additionally, the solid-state nature of many drugs introduces the risk of polymorphism, which can adversely affect both development costs and therapeutic efficacy. An innovative solution to these challenges is the transformation of solid-state active pharmaceutical ingredients (APIs) into liquid salt forms, known as ionic liquids (API-ILs). While API-ILs show great promise for improving bioavailability and mitigating polymorphism, current design approaches are heavily reliant on expert guidelines and checklists, which limits exploration to a narrow chemical space. To overcome these limitations, the CADAPIL project proposes developing novel models for the computer-aided design (CAD) of API-ILs, resulting in a software package, openAPI-ILDesign, that will enable comprehensive exploration of the chemical space of API-ILs. These models and the corresponding software aim to identify new formulations with optimal thermodynamic and physicochemical properties, addressing the bioavailability challenges of NCEs and revolutionizing the design of next-generation drug formulations.

Fields of science (EuroSciVoc)

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Keywords

Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)

Programme(s)

Multi-annual funding programmes that define the EU’s priorities for research and innovation.

Topic(s)

Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.

Funding Scheme

Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.

HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships

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Call for proposal

Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.

(opens in new window) HORIZON-MSCA-2024-PF-01

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Coordinator

IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY AND MEDICINE
Net EU contribution

Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.

€ 276 187,92
Address
SOUTH KENSINGTON CAMPUS EXHIBITION ROAD
SW7 2AZ London
United Kingdom

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Region
London Inner London — West Westminster
Activity type
Higher or Secondary Education Establishments
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Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

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