OTAVA Research Institute, as a research arm of OTAVA Ltd., is a contract research organization devoted to providing high quality and cost-effective integrated computational drug discovery services. A global community of scientists turns to us when they require to facilitate hit identifications, hit-to-lead, and optimize ADME and toxicology profiles as well as to solve many other aspects of different drug discovery research projects.Our proprietary AI-ODDA™ Drug Discovery Platform (Artificial Intelligence‐Driven OTAVA Research Institute Drug Discovery Approaches) allows analyzing a vast chemical space of millions of compounds to identify highly specific small subsets of molecules for subsequent syntheses and testing.
SARS-CoV-2 Main Protease Targeted Library (1017 compounds)
This library has been designed with receptor-based virtual screening using crystal structure of SARS-CoV-2 main protease (PDB ID: 6LU7)
ML (Machine Learning) SARS Targeted Library (1577 compounds)
This library has been carefully designed using machine learning (artificial neural networks and Bayesian statistics). All compounds are in stock, cherry-picking is available.
Feel free to contact us or send an inquiry in direct message if you are interested to obtain these libraries or if you need more information.
SARS-CoV-2 Papain-like Protease (PLpro) Targeted Library
Being a part of NSP3 multi-domain protein, papain-like protease PLpro is required for coronaviral replication. PLpro removes ubiquitin and ISG15 from the host cell proteins to prevent coronaviruses the formation of innate immune reactions. Using receptor based virtual screening Otava Research Institute’s team designed the SARS-CoV-2 Papain-like Protease (PLpro) Targeted Library, which is contain 1058 stock compounds with predicted activity against this protease and is ready to deliver.
The designed SARS-CoV-2 Papain-like Protease Targeted Library comprises only drug-like compounds (PAINS compounds are filtered off). The library is intended for screening projects to find new compounds with activity against SARS-CoV-2.
SARS-CoV-2 Helicase (NSP13) Targeted Library
Using receptor-based virtual screening OTAVA research team has designed a SARS-CoV-2 Helicase (NSP13) Targeted Library. https://bit.ly/31A72S7 The library is helpful to researchers involved in finding active compounds against SARS-CoV-2. Contains 1170 compounds with predicted activity against SARS-CoV-2 NSP13. All compounds are stocked, cherry picking is available. Price is on request.
Otava RDC develops molecular probes to discover and validate therapeutic drug targets, enzyme inhibitors, biological receptor antagonists and agonists, performs pharmacophore modeling, molecular docking, molecular dynamics simulations, SAR studies.
Targeted-focused libraries comprise compounds with in silico predicted affinity to different molecular targets (G-protein coupled receptors, protein kinases, proteases, ion channels, epigenetic targets, nuclear receptors and others). In order to design targeted libraries Otava RDC applies various computational structure-based and ligand-based methods.
OtavaRD offers custom synthesis of organic molecules for pharmaceutical and biotech projects:
Template selection, sequence alignment and model generation.
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