Exploring Bikaverin as Metal ion Biosensor: A Computational approach

Autor: Zakir Hussain, Haamid Rasool Bhat, Tahira Naqvi, Malay K. Rana, Masood Ahmad Rizvi
Jazyk: angličtina
Rok vydání: 2019
Předmět:
Zdroj: Acta Chimica Slovenica, Vol 66, Iss 2, Pp 351-359 (2019)
Druh dokumentu: article
ISSN: 1318-0207
1580-3155
DOI: 10.17344/acsi.2018.4843
Popis: A computational exploration of fungi produced pigment bikaverin as a biosensor towards bioavailable metal ions is presented. Systematic studies of the optimized ground and excited state geometries were attempted for exploring metal ion binding pocket, comparative binding propensity and optical properties of the bikaverin and its adducts with studied metal ions. The screening of thirteen (13) bioavailable metal ions, revealed a range of binding strengthtowards bikaverin receptor with Ca2+, Mg2+ and Al3+as the strongest binders. Besides, upon binding to bikaverin receptor an enhancement in its fluorescence intensity was observed in the order Ca2+> Al3+> Mg2+. The computationally predicted selectivity of bikaverin receptor towards Ca2+was experimentally corroborated through the preliminary fluorescence studies. The bikaverin probe showed an enhancement of fluorescence emission in presence of Ca2+ ions in buffered aqueous medium.
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