UF Scripps has approximately 1 million compounds available for HTS efforts. These contain both diverse and focused sub-libraries, described in detail below:
UF Scripps Drug Discovery Library
Our in-house drug discovery collection consists of over 600,000 unique and drug-like compounds and is constructed from commercial sources as well as past and current internal medicinal chemistry/drug discovery efforts. The library contains several “focused” sub-libraries including: GPCR, Kinase, “Rule of 5,” Natural products, Transcription factor and “Click” chemistry collections. Over 90% of compounds can be sourced as powders.
The Molecular Libraries Small Molecule Repository (MLSMR) library provided through the Molecular Libraries Initiative. In summary, the MLSMR library is a highly diversified collection of more than 350,000 small molecules (more that 50% of compounds exhibit molecular weights between 350 and 410 g/mol) comprising both synthetic and natural products, from either commercial or academic sources, that can be grouped into the three following categories: (1) specialty sets of known bioactive compounds such as drugs and toxins, (2) focused libraries aimed at specific target classes and (3) diversity sets covering a large area of the chemical space.
UF Scripps Approved Drug Library
A collection of 1280 drugs that have reached clinical trial stages in the USA or that are marketed in Europe and/or Asia. Compound have been assigned USAN, USP INN, BAN and/or JAN designations and are included in the USP Dictionary (U.S. Pharmacopeia), the authorized list of established names for drugs in the USA and/or are listed in the Index Nominum, the International Drug Directory.
UF Scripps Clinically Relevant Collection
Our in-house clinically relevant collection consists of over 1000 commercial bioactive compounds identified from the MDL® Comprehensive Medicinal Chemistry database (over 7500 bioactive compounds used or studied as medicinal agents in humans) or DrugBank database (detailed drug data for nearly 4800 bioactives tested in humans).
UF Scripps Pilot Screen Libraries
- LOPAC (1280 compounds): A collection of pharmacologically-active compounds useful for HTS validation. The library contains high purity, small molecule ligands with well-documented pharmacological activities in areas such as apoptosis, phosphorylation and well-characterized compounds against orphan receptors.
- The Prestwick Chemical Library (1120 compounds): A library containing off-patent small molecules, with 90% being marketed drugs and 10% being bioactive alkaloids or related substances. The set is selected for structural diversity, broad spectrum activity covering several therapeutic areas (e.g. neuropsychiatry to cardiology, immunology, anti-inflammatory, analgesia and more) and for known safety and bioavailability profiles in humans.
- Tocriscreen (979 compounds): A collection of unique and diverse bioactive compounds.
- The Nuclear Receptor Signaling Ligand Set (55 compounds): Includes the latest endogenous and synthetic ligands for well-characterized receptors in the field of Nuclear Receptor Signaling including: Androgen (AR), Estrogen (ER), Glucocorticoid (GR), Mineralocorticoid (MR), Peroxisome proliferator-activated (PPARα, PPARχ or PPARδ), Progesterone (PR), Liver X (LXR), Retinoic acid (RAR), Retinoid X (RXR), Thyroid hormone.
All contents have been tested for purity and structural confirmation via LC-MS or NMR (or both), allowing for rapid follow-up studies by our collaborators after completion of HTS effort (LC-MS reports also available from UF Scripps).