Modelling the interaction of small organic molecules with biomacromolecules. II. A generalized concept for biological interactions
Mekenyan, O.; Bonchev, D.; Trinajstić, N.; Peitchev, D.
Arzneimittel-Forschung 36(3): 421-424
1986
ISSN/ISBN: 0004-4172 PMID: 3754751 Document Number: 269341
In the first part of this series it was shown that, for interactions between substituted pyridines and anti-3-azopyridine antibody, the maximum biological activity is observed for an optimum electronic correspondence between the reactants. This particular result, together with data in the literature which points to the necessity for geometrical and lipophilic correspondence, supports a generalization for the nature of the biological action of chemical compounds. Accordingly in this paper it is proposed that the affinity towards a given biomacromolecule will be maximum only for those chemicals within a series of compounds which are characterized by optimum values of basic factors which condition the biological activity: geometric, electronic, and/or lipophilic. The practical aspects of the hypothesis should be valuable in molecular pharmacology, drug design, and theory of chemical reactivity.