MAYBRIDGE SCREENING COLLECTION

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The drug discovery process is long and expensive...... our aim is to shorten this process by producing high-quality, hit-like, lead-like and drug-like compounds, which generate quality valuable data from screening programmes.

The Maybridge Screening collection consists of over 56,000 organic compounds, largely produced by us at Maybridge. These are individually designed compounds, produced by innovative synthetic techniques, based on over 45 years of experience in heterocyclic chemistry.

The pre-plated HitFinder^TM Collection consists of 14,400 Maybridge Screening Compounds, selected to represent the diversity of the Maybridge Screening Collection using a clustering algorithm based on standard Daylight Fingerprints and Tanimoto similarity, and is conveniently supplied as dry films in Matrix 96 shallow well plates or 384 well microplates.

THE COMPOUNDS IN OUR COLLECTION ARE:

DIVERSE

An independent study carried out by McGregor and Pallai comparing the diversity of 10 commercially available libraries and the Available Chemicals Directory (ACD) showed that out of the libraries that were produced in-house, Maybridge had the most diverse library i.e. the most singletons (clusters with one member), and the highest number of clusters. (Ref. The Journal of Chemical Information and Computer Sciences 1997,37,443-448)

DRUG-LIKE, AND GENERALLY FOLLOW LIPINSKI'S RULE OF 5

"Of the ~400,000 pharmacophores* in the world drug index ~87% are expressed by the Maybridge Screening collection." (*Calculations carried out by Oxford Molecular using Chem-X definition, i.e. triplets of H-bond acceptors, H-bond donors, aromatic ring centres and positive nitrogen atoms.)  The compounds in the Maybridge collection generally obey Lipinski's** "rule of five" and so demonstrate good ADME (absorption, distribution, metabolism and excretion) profiles, which makes them ideal candidates for development beyond the initial Screening assay.

Lipinski	Maybridge Screening Collection
< 5 H-bond donors	99.7% <5
<10 H-bond acceptors	99.8% <10
cLog P <5	mean log P 3.23, 94% in range -0.11 to 6.3
Mol. Weight <500	mean mol. weight 325, 95% in range 150-500

See the evidence here

**Lipinski , C.A. , Lombardo, F., Dominy, B.W. and Feeney, P.J. (1996). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Advanced Drug Delivery Reviews 23 3-25.

ADME Calculations

HIA good/poor cutoff set at 40% (J. Pharm. Sci., 2001, 90, p749) 
BBB BBB+ >= -0.2,  BBB- <=-0.5, BBB+/- borderline (Eur. J. Med. Chem., 2001, 36, p719 & J. Med. Chem., 2000, 43, p2204)
AqSol Classification at 1µMol cLogS:  Good > 1µMol, Poor <=1µMol (Using J. Pharm. Sci. 1999, 88, p868 to calculate cLogS)

HIGH QUALITY

Analysis of Screening compounds is by appropriate methodology, selected from:

• Nuclear Magnetic Resonance Spectroscopy (NMR)
• Infra-Red Spectroscopy (FT-IR)
• Liquid Chromatography-Mass Spectrometry (LC-MS)
• High Performance Liquid Chromatography (HPLC)
• Elemental Analysis
• The purity of the Screening Collection, unless stated, is greater than 90% with a majority of compounds having a purity of 95%.
• Reactive molecules are excluded in order to reduce the number of false positives. (click here for full details)

 

AVAILABLE IN HIGH STOCK QUANTITIES

Typically, about 95% of the compounds in our collection are available in >5mg stock quantities and over 90% of the compounds are available in >50mg stock quantities. Indeed a large proportion of our collection is available in gram quantities; this means we can ensure a very high level of re-supply of originally tested compounds.

SUPPLY FORMATS 

• In 96 well plates at mass >=2µmol or >=0.5mg as powder, dry films or frozen DMSO solutions
• In 96 or 384 well plates at mass > 0.1µmol or >0.01mg as dry films or frozen DMSO solutions.
• In vials at mass >2µmol or 0.5mg as powder or DMSO solutions.

Maybridge can provide most major brands of plates/vials but is happy to use those supplied by customers on request.