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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 strength towards bikaverin receptor with Ca 2+ , Mgdoi:10.17344/acsi.2018.4843 fatcat:xole62a6ejat5nqkrkgkrzezgq