Structural insight and in silico prediction of the pharmacokinetic parameters and toxicity of alkaline earth metal compounds strontium and barium with the non-steroidal anti-inflammatory drug nimesulide

Małgorzata Rybczyńska; Artur Sikorski

doi:10.1039/d4dt00446a

Structural insight and in silico prediction of the pharmacokinetic parameters and toxicity of alkaline earth metal compounds strontium and barium with the non-steroidal anti-inflammatory drug nimesulide

Dalton Trans. 2024 Apr 16;53(15):6501-6506. doi: 10.1039/d4dt00446a.

Authors

Małgorzata Rybczyńska¹, Artur Sikorski¹

Affiliation

¹ Faculty of Chemistry, University of Gdansk, W. Stwosza 63, 80-308 Gdansk, Poland. [email protected].

PMID: 38511607
DOI: 10.1039/d4dt00446a

Abstract

In the crystals of alkaline earth metal compounds strontium and barium with the non-steroidal anti-inflammatory drug nimesulide, the strontium cation is nine-coordinated with a distorted tricapped trigonal prismatic geometry TCTPR-9, whereas the ten-coordinated barium ion exhibits a distorted tetracapped trigonal prismatic geometry TCTPR-10.

MeSH terms

Anti-Inflammatory Agents, Non-Steroidal
Barium / chemistry
Metals, Alkaline Earth* / chemistry
Strontium* / chemistry
Sulfonamides*

Substances

Barium
Strontium
nimesulide
Metals, Alkaline Earth
Anti-Inflammatory Agents, Non-Steroidal
Sulfonamides