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Biomedical subjects

V Austel

Publications and source records attributed to V Austel.

5 recordsLinked to original sources
PubMed1981

The theory of sets as a tool in systematic drug design.

A strategy of practical drug design is developed on the basis of the theory of sets. This strategy accounts for the fact that new drugs are required to optimally approach a certain activity profile rather than showing maximal intrinsic activity. In addition, modern structure selection techniques as well as qualitative and quantitative structure-activity relationships are incorporated in the strategy so as to optimally contribute to an economical use of experimental capacity.

Chemistry, Pharmaceutical↗
PubMed1981

Application of the theory of sets to drug design. Development of a new cardiotonic drug AR-L 115 BS.

A new type of cardiotonic compounds is developed by applying a systematic drug design procedure based on the theory of sets. With the aid of clinical and pharmacological experience in the field of cardiotonic drugs and from biomolecular considerations a structural field (set) is selected which is likely to contain compounds which show the desired activity profile. By systematic exclusion of inappropriate parts of this structural field (subsets) the original set is reduced to a small structural area (residue set) the structures (elements) of which have a high potential of being new cardiotonic drugs with an activity profile superior to hitherto known compounds. In our case one of the elements, 2-[(2-methoxy-4-methylsulfinyl)phenyl]-1H-imidazo[4,5-b]pyridine (AR-L 115 BS), proved to fulfil all the requirements of the medicinal objective. The structure of AR-L 115 differs significantly from all other cardiotonic principles and therefore represents an entirely new type of positive inotropic agents.

Cardiotonic Agents↗
PubMed1979

A new easily accessible steric parameter for structure-activity relationships.

A simple steric parameter Sb is formulated on the basis of substituent branching. This parameter can be calculated for every conceivable substituent and gives an estimate of steric effects which is sufficient for most purposes in practical drug design. Sb may also be applied to quantitative structure-activity relationships.

Models, Chemical↗