Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure-Function Relationships for Auxin-like Molecules was written by Ferro, Noel;Gallegos, Ana;Bultinck, Patrick;Jacobsen, Hans-Joerg;Carbo-Dorca, Ramon;Reinard, Thomas. And the article was included in Journal of Chemical Information and Modeling in 2006.COA of Formula: C10H8O3 This article mentions the following:
Auxins are defined mainly by a set of physiol. actions, but the structure-effect relationship still is based on chem. intuition. Currently a well-defined auxin mol. structure is not available. The existence of different auxin binding proteins and mechanisms of auxin action, the wide diversity of the auxin mols., and the pleiotropic effects of auxin imply a completely different mechanism as described for the animal hormone concept. Here, we present a computational approach dealing with semiempirical optimizations of the auxin mols. themselves, which represent a number of about 250 different chem. structures. Our approach uses mol. quantum similarity measures and addnl. quantum variables for the anal. of auxin-like mols. The finding of similarities in mols. by focusing basically on their electron structure results in new insights in the relationship of the different auxin groups. Addnl. statistical anal. allows the identification of relationships between similarity groups and their biol. activity, resp. It is postulated that the auxin-like mol. recognition depends more on specific mol. assembling states than on a specific ring system or side chain. In the experiment, the researchers used many compounds, for example, 2-Benzofuranacetic acid (cas: 62119-70-4COA of Formula: C10H8O3).
2-Benzofuranacetic acid (cas: 62119-70-4) belongs to benzofurans derivatives. Benzofuran is a core structural unit found in many naturally occurring compounds with multidirectional biological activities. In nature, benzofurans have occupied an important role among the plant phenols & several pharmacologically active compounds.COA of Formula: C10H8O3
Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem