Related Experiment Video
Updated: Jul 8, 2026
08:21
Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
Published on: April 13, 2022
Mapping Evolution of Molecules across Biochemistry with Assembly Theory
Sebastian Pagel1, Abhishek Sharma1, Leroy Cronin1
1School of Chemistry, The University of Glasgow, University Avenue, GlasgowG12 8QQ, U.K.
Journal of Chemical Information and Modeling
|July 7, 2026
Summary
Natural products reveal evolutionary mechanisms beyond genetics using assembly theory (AT). This approach maps molecular evolution and aids drug discovery by exploring complex chemical structures.
Area of Science:
- Biochemistry
- Evolutionary Biology
- Chemistry
Background:
- Evolutionary processes are typically studied through genetic mutations.
- Natural products, complex molecules in biochemistry, offer a potential avenue to study evolution beyond genetics.
Purpose of the Study:
- To propose and demonstrate that natural products can be used to uncover evolutionary mechanisms beyond genes.
- To apply assembly theory (AT) to map and measure evolutionary forces in natural products.
- To explore how evolutionary principles apply to complex chemical structures and assess evolutionary contingency.
Main Methods:
- Utilizing assembly theory (AT) to analyze the assembly space of natural products.
- Comparing natural products with a broader molecular database.
- Quantifying evolutionary selection at the molecular level.
Main Results:
- Assembly theory (AT) demonstrates that evolutionary principles apply to natural products, selecting complex molecules.
- The study quantifies evolutionary selection in molecular structures.
- Evolutionary contingency in molecular novelty emergence and persistence can be assessed.
Conclusions:
- Natural products, analyzed via assembly theory (AT), provide insights into evolutionary mechanisms beyond genetics.
- This approach offers a new perspective on measuring evolutionary processes through molecular imprints.
- Exploring molecular assembly spaces of natural products opens new avenues for drug discovery.
Related Concept Videos
02:41Protein Complex Assembly
Proteins can form homomeric complexes with another unit of the same protein or heteromeric complexes with different types. Most protein complexes self-assemble spontaneously via ordered pathways, while some proteins need assembly factors that guide their proper assembly. Despite the crowded intracellular environment, proteins usually interact with their correct partners and form functional complexes.
Many viruses self-assemble into a fully functional unit using the infected host cell to...
Many viruses self-assemble into a fully functional unit using the infected host cell to...
02:41Protein Complex Assembly
Proteins can form homomeric complexes with another unit of the same protein or heteromeric complexes with different types. Most protein complexes self-assemble spontaneously via ordered pathways, while some proteins need assembly factors that guide their proper assembly. Despite the crowded intracellular environment, proteins usually interact with their correct partners and form functional complexes.
Many viruses self-assemble into a fully functional unit using the infected host cell to...
Many viruses self-assemble into a fully functional unit using the infected host cell to...
03:36Genome Annotation and Assembly
The genome refers to all of the genetic material in an organism. It can range from a few million base pairs in microbial cells to several billion base pairs in many eukaryotic organisms. Genome assembly refers to the process of taking the DNA sequencing data and putting it all back together in a correct order to create a close representation of the original genome. This is followed by the identification of functional elements on the newly assembled genome, a process called genome annotation.
01:18Assembly of Cytoskeletal Filaments
Cytoskeletal filaments are polymeric forms of smaller protein subunits. However, individual cytoskeletal filaments may easily disassemble or associate with other similar filaments to form rigid structures. Microfilaments, made of actin monomers, rely on actin-binding proteins to form bundles and create networks of individual actin filaments. Microtubules rely on microtubule-associated proteins (MAPs) to form sturdy cylindrical structures. However, the proteins involved in forming complex...
02:00Molecular Models
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
01:24Protein Organization
Proteins are polymers of amino acid residues. They are versatile and responsible for different cellular functions, including DNA replication, molecular transport, catalysis, and structural support. Proteins have a hierarchical structure comprising at least three levels of organization: primary, secondary, and tertiary structure. Some large proteins have a quaternary structure where individual protein subunits are linked together.
The primary structure of a protein is its amino acid sequence.
The primary structure of a protein is its amino acid sequence.