AI Driven Drug Discovery Pipeline for Lead Optimization: from Virtual Screening to Preclinical Validation of Brain-Penetrant AD Therapeutics
About This Grant
Summary In this proposed research, we aim to develop AI-driven virtual screening pipelines to screen billion-scale compound libraries and predict blood-brain barrier (BBB) permeability, which are critical steps for identifying drug-like lead compounds against AD/ADRD targets, as the current computational methods do not adequately address these crucial needs. First, we will incorporate small molecule foundation models, Bayesian ensemble learning, and active learning to accelerate the docking-based virtual screening pipeline, enabling efficient virtual screening of billion-scale compound libraries. Second, we will incorporate Affinity Selection Mass Spectrometry (ASMS)-based screening and advanced AI/Computational tools to enable similarity-based virtual screening (SBVS) for AD/ADRD targets when their ligand-bound structures are not known. Finally, we will construct a large- scale ΔGSolv dataset and take advantage of the dataset to develop AI/ML models that predict Kp,uu and Pgp ER, providing a more nuanced understanding of brain penetration for small-molecule brain penetrant drugs.
Grant Summary
AI Driven Drug Discovery Pipeline for Lead Optimization: from Virtual Screening to Preclinical Validation of Brain-Penetrant AD Therapeutics is a NIA - National Institute on Aging grant providing up to $1.2M for university, nonprofit, healthcare org. Applications are due 2031-01-31 (open). Check eligibility and apply with FindGrants.
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Eligibility
How to Apply
Up to $1.2M
2031-01-31
- 1Confirm your organization is eligible for AI Driven Drug Discovery Pipeline for Lead Optimization: from Virtual Screening to Preclinical Validation of Brain-Penetrant AD Therapeutics from NIA - National Institute on Aging, checking organization type, location, and any population or project requirements.
- 2Gather the required documents and information, including your organization details, project plan, and budget figures.
- 3Draft your application narrative and budget addressing the funder's priorities and review criteria. FindGrants can draft each section for you to review and edit.
- 4Review every section against the requirements checklist, then export a submission-ready application pack and submit it to NIA - National Institute on Aging before the deadline.
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AI Driven Drug Discovery Pipeline for Lead Optimization: from Virtual Screening to Preclinical Validation of Brain-Penetrant AD Therapeutics: Frequently Asked Questions
Who is eligible for the AI Driven Drug Discovery Pipeline for Lead Optimization: from Virtual Screening to Preclinical Validation of Brain-Penetrant AD Therapeutics?
AI Driven Drug Discovery Pipeline for Lead Optimization: from Virtual Screening to Preclinical Validation of Brain-Penetrant AD Therapeutics is offered by NIA - National Institute on Aging and is generally open to university, nonprofit, healthcare org. It is open to organizations nationwide unless the funder specifies otherwise. Review the specific eligibility terms before applying, since funders set their own requirements around organization type, location, and the population or project being served.
How much funding does the AI Driven Drug Discovery Pipeline for Lead Optimization: from Virtual Screening to Preclinical Validation of Brain-Penetrant AD Therapeutics provide?
AI Driven Drug Discovery Pipeline for Lead Optimization: from Virtual Screening to Preclinical Validation of Brain-Penetrant AD Therapeutics provides up to $1.2M per award from NIA - National Institute on Aging. Actual award sizes depend on the scope of your project, available program funds, and the number of applicants, so build a budget that reflects realistic, allowable costs rather than the maximum figure.
When is the AI Driven Drug Discovery Pipeline for Lead Optimization: from Virtual Screening to Preclinical Validation of Brain-Penetrant AD Therapeutics deadline?
Applications for AI Driven Drug Discovery Pipeline for Lead Optimization: from Virtual Screening to Preclinical Validation of Brain-Penetrant AD Therapeutics are due 2031-01-31 (open). Because deadlines can change, verify the date with the funder, NIA - National Institute on Aging, and give yourself enough time to prepare a complete, competitive application before the close date.
How do you apply for the AI Driven Drug Discovery Pipeline for Lead Optimization: from Virtual Screening to Preclinical Validation of Brain-Penetrant AD Therapeutics?
To apply for AI Driven Drug Discovery Pipeline for Lead Optimization: from Virtual Screening to Preclinical Validation of Brain-Penetrant AD Therapeutics, confirm your eligibility, gather the required documents, and prepare a narrative and budget that address the funder's priorities. FindGrants guides you step by step and can draft each section, then exports a submission-ready application pack for this grant from NIA - National Institute on Aging.