VTCDDSL Compound Library

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VTCDDSL Compound Library 2017-04-05T21:12:08+00:00

The Spectrum Collection from MicroSource

The 2320 compounds in the SPECTRUM Collection were selected by medicinal chemists and biologists so as to provide a wide range of biological activities and structural diversity for screening programs with special emphasis on the de-novoassays emerging today.  Each compound has > 95% purity.

Two copies of the library are available on campus: one owned by VTCDD and one owned by Dr. Pablo Sobrado.

Drug components:          60%
Natural Products:            25%
Bioactive Components:   15%

Website: http://www.msdiscovery.com/spectrum.html

Number of Compounds 2320
Compound State 10mM in DMSO, 1mM in DMSO

Analyticon Discovery Screening Library (AD122131)

This library is an Academia subset of the Analyticon Discovery NATx Screening Library. The Academia library uses 70 chemical entities with biological pre-validation as underlying templates. These molecules are then modified with known and unusual pharmacophore groups using straightforward floow-up chemistry to produce 5,000 unique molecules for drug discovery. Compound purity averages 95 percent.

Product Information

 

Number of Compounds 5000
Compound State 0.5mg, lyophilized

Chembridge Library (#1032)

This library is a custom selection from the Chembridge DriverSet and belongs to Dr. Florian Schubot. He has generously allowed the VTCDDSL to prepare dilutions and these are available for general use.

Website:

http://www.chembridge.com/screening_libraries/diversity_libraries/

 

Number of Compounds 30,000
Compound State 10 mM in DMSO, 1mM in DMSO

The VTCDD Merola Tailored Transition Metal Complex (TTMC) Library

This library of unique organometallic compounds was prepared here at Virginia Tech by the Merola laboratory (Department of Chemistry, College of Science).  Compounds with these molecular frameworks can be easily modified and their properties “tailored” to improve performance.   A number of the library compounds have have been tested for toxicity and shown to be non-toxic to Vero cells.  The only library compound tested to date in a mouse study was also shown to be non-toxic.
Many compounds in the TTMC library have demonstrated anti-mycobacterial activity (1) and others have shown activity against Staphlococcus aureus including several strains of MRSA (2).

DIAGRAM OF THE 2 FRAMEWORKS SENT BY MARIGOLD

  • .Karpin, G.W., Merola, J.S., and Falkinham, J.O., III.  “Transition metal-α-amino acid complexes with antibiotic activity against Mycobacterium spp.” Antimicrobial agents and chemotherapy 2013, 57(7), 3434-3435.
    Link to article:http://aac.asm.org/content/57/7/3434.full.pdf+html
  • Karpin, G.W., Morris, D.M, Njo, M.T., Merola, J.S. and Falkinham, J.O., III.   “Transition metal diamine complexes with antimicrobial activity against Staphylococcus aureus and methicillin-resistant S. aureus (MRSA)”  Med. Chem. Comm. Med. Chem. Commun., 2015,6, 1471-1478.Link to article:
    http://pubs.rsc.org/en/content/articlepdf/2015/md/c5md00228a

    Number of Compounds 110
    Compound State 10 mM in DMSO, 1 mM in DMSO

Selleckchem Kinase Inhibitor Library (L1200)

This library is a unique collection of 273 structurally diverse inhibitors for kinases including RTKs, PI3K, Aurora Kinase, CDK, and MEK.  Most of these inhibitors are competitive with ATP.  The bioactivity and safety of these compounds have been confirmed by preclinical research and clinical trials.  Some of these inhibitors have been approved by the FDA.

Number of Compounds 273
Compound State 10 mM in DMSO

NIH Clinical Collection (NIHCC)

Number of Compounds 700
Compound State 10 mM in DMSO, 1mM in DMSO

The NIH Clinical Collection is a plated array of small molecules that have a history of use in human clinical trials.  The collection was assembled by the National Institutes of Health (NIH) through the Molecular Libraries Roadmap (MLR) Initiative.  Extensive bioactivity data on these compounds from dozens of high throughput screens will be publicly available online through PubChem, a component of the Molecular Libraries Initiative.  Through ongoing screening within and outside the Molecular Libraries Screening Network, the body of knowledge about these compounds will continually expand.

Contact the Screening Lab

Dr. Pablo Sobrado
VTCDDSL Director, Associate Professor
Department of Biochemistry
(540) 231-9485
psobrado@vt.edu

Dr. Nancy Vogelaar
VTCDDSL Manager
Department of Biochemistry
(540) 231-3525
nancy.vogelaar@vt.edu

Location
The Virginia Tech Center for Drug Discovery Screening Lab is located in Engel Hall, Room 303. The facility is available to the Virginia Tech community for high-throughput screening and users have access to over 40,000 chemical compounds.