RAR-related Orphan Receptor-γ Targeted Library
     
Home > Targets > RAR-Related Orphan Receptor-γ Targeted Library

Design your focused library

Newsletter Subscription

Stay updated with our new products and services. You can unsubscribe at any time.


RAR-related Orphan Receptor-γ Targeted Library

The Retinoic Acid Receptor-related Orphan Receptor-γ Targeted LibraryThe Retinoic Acid Receptor-related Orphan Receptor-γ (RORγ or RORc) playing an important role metabolism, inimmunity and circadian rhythm. Abnormal functioning of RORγ is associated with inflammatory diseases. Antagonists of this receptor may have therapeutic potential in the treatment of such diseases. Also disorders of RORγ activity are observed at cancer. Its agonists may allow the immune system to combat cancer.

 

OTAVAchemicals offers Retinoic Acid Receptor-related (RAR-related) Orphan Receptor-γ Targeted Library. It contains 1362 predicted modulators of RORγ. Library has been carefully designed with combination of ligand-based and receptor-based virtual screening methods - machine learning (artificial neural networks, Bayesian statistics and k-nearest neighbors algorithm (k-NN)) and molecular docking.

For library design known RORγ modulators were clustered into four clusters. Compounds of each cluster were classified as active or inactive using k-NN based on molecular fingerprints to achieve more homogeneous sets and then randomly divided into training and test sets. The training sets were used for development and parameterization of artificial neural networks and for Bayesian modeling (both methods based on molecular descriptors, such as number of hydrogen donors and acceptors, PSA, LogP, molecular weight, number of rotatable bonds, number of rings and different fingerprints, topological descriptors and other). The test sets were used for validation of neural networks and Bayesian models. Also the training sets were used for compounds selection with k-NN algoritm (based on fingerprints ECFP4, FCFP4, ECFP6, FCFP6). The combination of artificial neural networks, Bayesian statistics and k-NN method should allow increasing the number of active compounds identified during screening. Top-scored compounds obtained from application of these methods were crossed and visually analyzed.

The designed RAR-related Orphan Receptor-γ Targeted Library comprises only drug-like compounds (PAINS compounds is filtered off). It provides an excellent basis for drug discovery projects related with the inflammatory diseases.

 

All compounds are in stock, cherry-picking is available.

The Retinoic Acid Receptor-related Orphan Receptor-γ Targeted Library (DB, SD, XLS, PDF format) as well as the price-list are available on request. Feel free to contact us or use on-line form below to send an inquiry if you are interested to obtain this library or if you need more information.

 

 

 


Need more information regarding this product? Send us an inquiry:


Name: *
Company: *


E-mail:

(if you do not receive a response within 24 hours,
please give an alternate e-mail)
*

Your message:
(please specify name of the product you are interested in)
*
Word Verification:

 
SSL