A CSD CRYSTALLOGRAPHIC ANALYSIS OF SOME PREGNANE CLASS OF STEROIDS

Rajni Kant

Abstract


The structural diversity of steroids as well as their surpassed biological potential qualify them as challenging targets for chemical synthesis and as lead structures for pharmacological research. A total number of thirty-three structures of pregnane derivatives were obtained from the CSD for a comparative analysis of their crystallographic structures, computation of their possible biological activities and molecular packing interaction analysis. Intra and intermolecular interactions of the type X-H…A [X=C,O, N; A=O, N, S, Cl, F] have been analysed for a better understanding of molecular packing in pregnane class of steroids and discussed on the basis of distance-angle scatter plots. Molecular conformations of all the structures have been computed on the basis of the magnitude of torsion angles  present in these structures. Results presented in this paper is a part of our ongoing  work on the crystallographic aspects of steroidal derivatives of different classes.

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DOI: http://dx.doi.org/10.17628/ecb.2016.5.172-184

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