Emergence of template-and-sequence-directed (TSD) syntheses: II. A computer simulation model

Area of Science:

• Origin of Life Research
• Computational Biology
• Biochemistry

Background:

• The origin of life requires self-replicating molecules and catalytic systems.
• Previous work established a bio-geochemical scenario for early Earth.

Purpose of the Study:

• To computer model peptide-catalyzed oligomeric growth as a central mechanism in the origin of life.
• To investigate the emergence of self-replicating proto-RNA and catalytic peptides from basic building blocks.

Main Methods:

• Utilized a computer model based on mass action equations for peptide-catalyzed oligomeric growth.
• Simulated a minimal system with proto-RNA templates, peptides, and their building blocks.
• Incorporated assumptions for proto-RNA replication and molecular selectivity.

Main Results:

• The model demonstrated rapid increases in proto-transfer RNA (proto-tRNA) proportions.
• Autocatalytic cycles emerged, leading to the accumulation of catalytic peptides and proto-tRNAs.
• The system showed robustness across various reaction parameters and initial concentrations.

Conclusions:

• The model successfully describes the buildup of a molecular mechanism for initiating a minimal template-directed synthesis (TSD) reaction cycle.
• This TSD reaction cycle is proposed as central to the origin of life due to its biological significance.
• The robustness of the 'toy model' supports its relevance to molecular evolution.