Dear Researchers,
I am new to the area of drug discovery. So, in the new lab I just began with, I received a 10K drug screening file. And I'm having trouble understanding a few words, such as scaffolds, singletons, and heterocycles (see attached image). Can someone with knowledge in the area enlighten me by using some examples?
Thank you!
A scaffold is a chemical structure that is common to multiple compounds in the set and forms the basis for attaching additional moieties to vary the activity.
A singleton is a compound that is the only one in the set that has a certain scaffold.
A heterocycle is any ring that contains an element other than carbon.
https://www.compoundchem.com/2014/07/31/heterocycles/
Thank you Adam!
So, basically, scaffold is the parent compound and multiple compounds can be derived from the same and singleton is such a scaffold which have only one compound. Am I getting it right ?
Correct. A scaffold usually consists of some ring structure, from which chemists can envision attaching various side chains, or a ring structure with certain specific side chains that are required for activity of the compound.
Heterocyles are cyclic compounds containing heteroatoms like nitrogen Sulphur oxygen etc besides carbon.
Singleton means compounds having multiplicity of electron equal to one
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