Crystal structures and docking studies in cathepsin S of bioactive 1,3‐diphenyl‐4‐(trichloro‐λ4‐tellanyl)but‐2‐en‐1‐one derivatives

Maganhi, Stella H. and Caracelli, Ignez and Zukerman-Schpector, Julio and Cunha, Rodrigo L.O.R. and Veja-Teijido, M. A. and Tiekink, Edward R. T. * (2021) Crystal structures and docking studies in cathepsin S of bioactive 1,3‐diphenyl‐4‐(trichloro‐λ4‐tellanyl)but‐2‐en‐1‐one derivatives. Journal of Molecular Structure, 1244. p. 130935. ISSN 0022-2860

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Official URL: http://doi.org/10.1016/j.molstruc.2021.130935

Abstract

The molecular structures of three 1,3‐diphenyl‐4‐(trichloro‐lλ4‐tellanyl)but‐2‐en‐1‐one derivatives (1–3), show similar coordination geometries defined by methylene-C, three chloride and carbonyl-O atoms. In each case, the resulting CCl3O donor set defines a square-pyramid with the vacant space opposite the methylene-C atom occupied by a lone-pair of electrons. Each of the molecules dimerises in the crystal via weak intermolecular Te…Cl interactions so a distorted ψ-pentagonal-bipyramidal geometry ensues. Previous work has shown these