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<p><i>Cytobacillus firmus</i> is a Gram-positive bacterium known for its potential to induce calcite formation through ureolytic activity, in which it hydrolyzes urea to ammonia, leading to calcite precipitation for use in bio-cement and concrete for construction. However, limited information is available on the genetic basis of its calcite precipitation, the composition of its secondary metabolites, and the possible pharmaceutical relevance of these metabolites. This study aims to investigate the presence of calcium carbonate precipitation genes, metabolite profiling, and <i>in silico</i> antifungal activities of calcite-producing <i>Cytobacillus firmus</i>. Calcite-producing <i>Cytobacillus firmus</i> strain QA1 was obtained from stock culture and revived on Tryptic Soy Agar. The presence of calcium carbonate precipitation genes in the bacterium was evaluated using Polymerase Chain Reaction (PCR). The bacterium was cultured in Tryptic Soy Broth, and secondary metabolites produced were characterized with Gas Chromatography-Mass Spectrometry (GC–MS) analysis. Pharmacokinetic and toxicity of the identified compounds were predicted using Absorption Distribution Metabolism Excretion and Toxicity (ADMET) lab, while their inhibitory potential against multidrug-resistant proteins of <i>Candida</i> species was evaluated through molecular docking. PCR analysis confirmed the presence of carbonic anhydrase (<i>ca</i>) and urea carboxylase-associated (<i>ureaA</i>) genes in the bacterium. The GC–MS analysis identified Methanethioamide, N, N-dimethyl- as the abundant compound. ADMET predictions indicated favorable human intestinal absorption and low toxicity, whereas molecular docking revealed weaker binding affinity of the compounds toward <i>Candida</i> multidrug resistance proteins than that of reference ligands. These findings provide preliminary evidence of genetic mechanisms underlying microbial calcite formation and the pharmaceutical potential of its metabolites.</p>

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Detection of calcium carbonate precipitation genes and GC-MS characterization of secondary metabolites of Cytobacillus firmus for in silico antifungal activities

  • 期刊论文

  • 发表日期：

    2026年7月29日

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  • Abideen Akinkunmi Wahab,
  • Ibrahim Omobolaji Adeyemo,
  • Alabi Peter Dare,
  • Nana Aishat Yusuf-Omoloye

摘要

Cytobacillus firmus is a Gram-positive bacterium known for its potential to induce calcite formation through ureolytic activity, in which it hydrolyzes urea to ammonia, leading to calcite precipitation for use in bio-cement and concrete for construction. However, limited information is available on the genetic basis of its calcite precipitation, the composition of its secondary metabolites, and the possible pharmaceutical relevance of these metabolites. This study aims to investigate the presence of calcium carbonate precipitation genes, metabolite profiling, and in silico antifungal activities of calcite-producing Cytobacillus firmus. Calcite-producing Cytobacillus firmus strain QA1 was obtained from stock culture and revived on Tryptic Soy Agar. The presence of calcium carbonate precipitation genes in the bacterium was evaluated using Polymerase Chain Reaction (PCR). The bacterium was cultured in Tryptic Soy Broth, and secondary metabolites produced were characterized with Gas Chromatography-Mass Spectrometry (GC–MS) analysis. Pharmacokinetic and toxicity of the identified compounds were predicted using Absorption Distribution Metabolism Excretion and Toxicity (ADMET) lab, while their inhibitory potential against multidrug-resistant proteins of Candida species was evaluated through molecular docking. PCR analysis confirmed the presence of carbonic anhydrase (ca) and urea carboxylase-associated (ureaA) genes in the bacterium. The GC–MS analysis identified Methanethioamide, N, N-dimethyl- as the abundant compound. ADMET predictions indicated favorable human intestinal absorption and low toxicity, whereas molecular docking revealed weaker binding affinity of the compounds toward Candida multidrug resistance proteins than that of reference ligands. These findings provide preliminary evidence of genetic mechanisms underlying microbial calcite formation and the pharmaceutical potential of its metabolites.