MAYBRIDGE SCREENING COLLECTION
| ||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 53,000 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.
NEW MAYBRIDGE HITDISCOVER
Now available off the shelf the entire Maybridge screening collection of over 53,000 compounds pre-plated as 1umol dry films in 96 well plate format. Exceptional diversity and outstanding value!
The pre-plated HitFinderTM 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:
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.
Maybridge Screening Collection
< 5 H-bond donors
<10 h-bond="" acceptors="">
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.
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)
Analysis of Screening compounds is by appropriate methodology, selected from: