Analysis of the structure-anticancer activity relationship in a set of Schiff bases of macrocyclic 2,6-bis(2- and 4-formylaryloxymethyl)pyridines.

Abstract

Quantitative estimation of the structure-anticancer activity relationship in a series of macrocyclic Schiff bases of 2,6-bis(formylaryloxymethyl)pyridines was carried out by the topological approach. Correlation equations describing the relationship between the anticancer activity and structural parameters of the molecules studied and descriptors characterizing their structure were obtained on the basis of in vitro screening data. The influence of structure of the investigated substances as reflected by the parameters studied on the anticancer activity, was established.

6,6′-Dimethoxy-2,2′-[m-phenylenebis(nitrilomethylidyne)]diphenol

“…For bond length data, see: Allen et al (1987). For related literature, see: Baseer et al (2000); Bedioui et al (1999); Campos et al (1999); Desai et al (2001); El-Masry et al (2000); Eltayeb et al (2007); ; ; Kabeer et al (2001); Kuz'min, et al (2000); More et al (2001); Naeimi et al (2007); Park & Kim (2000); Singh & Dash (1988); So et al (2007); Trevin et al (1997); Vigato & Tamburini (2004). Mo K radiation = 0.09 mm À1 T = 100.0 (1) K 0.80 Â 0.41 Â 0.23 mm…”

The analysis of structure-anticancer and antiviral activity relationships for macrocyclic pyridinophanes and their analogues on the basis of 4D QSAR models (simplex representation of molecular structure).

“…As compared to the previously used QSAR approaches, based on topologic modeling of molecular structure [4,7], a more adequate «structure-activity» model has been constructed with the use of a training set representative for anticancer and various types of Vol. 49 Anticancer and antiviral activity for macrocyclic pyridinophanes 163 *Kinds of simplexes: R, right configuration; L, left configuration (chiral, see [12]); S, symmetrical (achiral); P, plane (achiral); A, any (configuration has not been considered); ** q A < = 0, q B > 0, where q is partial atom charge.…”

“…The structure-anticancer activity relationship of MCP within the topologic model was analyzed [4,7]. The good agreement between observed and predicted values of activity against some cell cultures was observed for regression models.…”

“…New type of MCP-macrocyclic Schiff bases and their analogues that contain different structural fragments are very promising. We have established that some of them have anticancer and/or antiviral activity [4][5][6].…”

Optical Response of Two Azo Ligands Containing Salicyaldimine-based Ligand as Side Chains Towards Some Divalent Metal Ions and Their Antioxidant Behavior

“…1 Schiff bases and azo dyes have found applications in several fields such as medicinal, pharmaceutical and coordination chemistry. Some biological activities such as antifungal, antibacterial, antitumor, pesiticidal, antiviral and anti-inflammatory has been known for Schiff-bases [2][3][4][5][6][7] and azo compounds. [8][9][10][11] Because of the excellent donor properties of azo groups they are extensively used in coordination chemistry.…”