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Bio-pharmaceutical organizations face the challenge of trying to
overcome the very low probability associated with taking clinical
candidate drugs successfully to the market. Drug discovery and
development has traditionally been a long and expensive process with
the costs of bringing a single drug successfully through to the market
estimated at $350-500 million with a success rate of 1 in 12. Toxicity
of drug candidates during clinical development accounts for about 20%
of the attrition. About one-fourth of these molecules are associated
with cardiovascular toxicity, largely involving ion channels.
Having the ability to accurately predict the hERG binding
characteristics (a surrogate marker for cardiotoxicity) of a drug
candidate at the concept stage will allow pharmaceutical organizations
to design and develop candidates that are most likely to succeed in the
clinic, and avoid the costs associated with moving forward less
promising candidates. Our system is designed to allow medicinal
chemists understand the contribution of a particular feature of a
molecule to its hERG binding activity, thereby allowing them to de
novo design or modify the structure of molecules to have favorable
properties. Furthermore, it allows pharmaceutical organizations to
prioritize their hits and leads and pick the ones that have the least
probability of failure due to cardiotoxic events.
No need to reveal any confidential info
Strand has designed a method to provide predictive
ADME, toxicity and activity consulting services without the
need for you to reveal the chemistry of your confidential molecules.
Strand only employs molecular descriptors of your proprietary compounds
to build new models or customize existing ones. Strand had developed a
special software program for this purpose called
Descriptor Generator.
How the Descriptor Generator
works:
Strand provides you with the Descriptor Generator
program. It accepts the 2D structure information of a molecule or a set
of molecules in the SD format. It’s output is a tab-separated file that
contains 1082 descriptors calculated for each of the molecules provided.
The descriptors capture 2D and 3D properties of the molecule including
characteristics such as surface area, lipophilicity, hydrophilicity,
atom centred fragments, connectivity, etc., and various classes of
specialized descriptors including HOMA, RCI, HOMT. RDF, MOR, GETAWAY,
WHIM, etc are computed. 635 descriptors capture 3D characteristics while
the rest use 1D/2D or connectivity information.
The Descriptor Generator runs on both Windows
and Linux platforms.
Contact us
Please contact us to know
how we can help you in realizing successful
drugs, virtually now! |
