Structural and electronic origin of meat odour of organic hetero‐atomic compounds

Abstract

By means of the electron-topologic approach suggested earlier, the structural and electronic features favouring meat odour occurrence are evaluated using 77 organic compounds with known odorant properties as a basis for primary logico-structural analysis. A general fragment of the type XH2 (where X = S, O, N is a hetero-atom) with a certain electronic structure and conformational property is shown to be responsible for the meat odour. The results obtained allow for a prognosis of odorant compounds and their purposeful synthesis.

History and Evolution of the Pharmacophore Concept in Computer-Aided Drug Design

“…Kansy and co-workers published a new olfactophore for musk odor [86], and challenged earlier reports by Bersuker and co-workers [87]. Bersuker and co-workers have been promoting 3D electron topological approach for fragrance prediction and have published several papers involving: garlic aroma [88], and meat odor [89]. We are aware of one other sandalwood olfactophore proposed by Bajgrowicz and Frater [90].…”

4D-QSAR Study of p56IckProtein Tyrosine Kinase Inhibitory Activity of Flavonoid Derivatives Using MCET Method

“…Both in the electron topological (ET) [21][22][23][24] and in the electron conformer (EC) methods, 25 the ETM have been employed as a tool for exploring bio-structure. The ET method accounts to only one conformer with the lowest energy of each ligand, and emphasis upon only the pharmacophore (Pha) in three dimensions, therefore it is an investigation of 3D-QSAR.…”

Pharmacophore and Functional Group Identification of 4,4'-dihydroxydiphenylmethane as Bisphenol-A (BSA) Derivative

“…The ETM is used in both the electron topologic (ET) [15][16][17][18] and the electron conformer (EC) methods [22]. The ET method accounts only one conformer with the lowest energy of each ligand and emphasizes only Pha for 3D-QSAR analysis.…”