Small molecules as products of evolution

Markov, Gabriel V.; Laudet, Vincent

doi:10.1016/j.cub.2021.12.038

Cited by 6 publications

(1 citation statement)

References 42 publications

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“…In this way we purposely evolve our molecules toward more sophisticated capabilities found in advanced compounds such as leads and development candidates. The purposeful evolution of molecules by medicinal chemists is related to, but distinct from, metabolic pathway evolution, directed evolutionary studies, , and machine learning approaches for in silico compound selection.…”

Section: The Evolution Of Man and Moleculesmentioning

confidence: 99%

Think Biologically, Act Chemically

LaMarche

2022

J. Med. Chem.

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A drug is a sophisticated molecule, purposely evolved, resulting from the accumulation of knowledge learned and exploited from simpler molecules over time. Advanced molecules with increased sophistication and capability are derived from simpler, less sophisticated structures with less capabilities. Medicinal chemists do not find, stumble upon, accidentally discover, screen for, or construct drugs. We purposefully evolve molecules through the use of feedback cycles; we emphasize efficiency and simplicity in pursuit of multiproperty homeostasis; and we design and learn from molecular outliers. This Miniperspective illustrates inspirational themes from nature including evolution, feedback cycles, homeostasis, efficiency, and mutation. These biological themes are then exemplified in modern medicinal chemistry practices, such as design–make–test–analyze cycles (feedback), balancing molecular properties (homeostasis), defining the minimum pharmacophore (simplicity, efficiency), understanding molecular outliers (mutants), and the unifying concept of molecular evolution.

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Section: The Evolution Of Man and Moleculesmentioning

confidence: 99%