Electronic structure and biological activity of steroids

Igor Novak; Branka Kovač

doi:10.1016/S0301-4622(99)00027-7

Electronic structure and biological activity of steroids

Igor Novak, Branka Kovač

Agricultural, Environmental and Veterinary Sciences

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

Abstract

We present the analysis of the electronic structure for 31 steroids by using HeI UV photoelectron spectroscopy (UPS) and MO calculations. The electronic structure of molecules in the gas phase is related directly to steroid-receptor binding measurements. The results indicate that formally 'inert' σ-skeleton plays a crucial role in diversifying the electronic structures of the title compounds ('ribbon-orbital effect'). This is an attempt to rationalize the biological activity of steroids (represented through steroid-receptor binding) by making direct correlation between spectroscopic and biological data. Copyright (C) 1999 Elsevier Science B.V. All rights reserved.

Original language	English
Pages (from-to)	233-240
Number of pages	8
Journal	Biophysical Chemistry
Volume	78
Issue number	3
DOIs	https://doi.org/10.1016/S0301-4622(99)00027-7
Publication status	Published - 19 Apr 1999

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title = "Electronic structure and biological activity of steroids",

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AU - Kovač, Branka

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AB - We present the analysis of the electronic structure for 31 steroids by using HeI UV photoelectron spectroscopy (UPS) and MO calculations. The electronic structure of molecules in the gas phase is related directly to steroid-receptor binding measurements. The results indicate that formally 'inert' σ-skeleton plays a crucial role in diversifying the electronic structures of the title compounds ('ribbon-orbital effect'). This is an attempt to rationalize the biological activity of steroids (represented through steroid-receptor binding) by making direct correlation between spectroscopic and biological data. Copyright (C) 1999 Elsevier Science B.V. All rights reserved.

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KW - Steroids

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JO - Biophysical Chemistry

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Electronic structure and biological activity of steroids

Abstract

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