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.Electric Literature of C10H8ClNO2 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-(5-Chloro-1H-indol-3-yl)acetic acid (cas: 1912-45-4Electric Literature of C10H8ClNO2).
2-(5-Chloro-1H-indol-3-yl)acetic acid (cas: 1912-45-4) belongs to indole derivatives. Indole could be stereoselectively alkylated with chiral cyclopentyl sulfone reagent. It is used in perfumery and in making tryptophan, an essential amino acid, and indoleacetic acid (heteroauxin), a hormone that promotes the development of roots in plant cuttings.Electric Literature of C10H8ClNO2
Referemce:
Indole alkaloid derivatives as building blocks of natural products from闂佽壈浜崹淇沜illus thuringiensis闂佽壈浜粋鍧闂佽壈浜崹淇沜illus velezensis闂佽壈浜粋鍧 their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles