Rational design

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In chemical biology and biomolecular engineering, rational design (RD) is an umbrella term which invites the strategy of creating new molecules with a certain functionality, based upon the ability to predict how the molecule's structure (specifically derived from motifs) will affect its behavior through physical models. This can be done either from scratch or by making calculated variations on a known structure, and usually complements directed evolution.

Applications

As an example, rational design is used to decipher collagen stability, mapping ligand-receptor interactions, unveiling protein folding and dynamics, and creating extra-biological structures by using fluorinated amino acids. [1] To treat cancer, rational design is used for targeted therapies where proteins are engineered to modify the communication of cells with their environment. [2] There is also the rational design of alfa-alkyl auxin molecules, which are auxin analogs capable of binding and blocking the formation of the hormone receptor complex. [3]

Other applications of rational design include:

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Macromolecule Very large molecule, such as a protein

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Molecular biophysics Interdisciplinary research area

Molecular biophysics is a rapidly evolving interdisciplinary area of research that combines concepts in physics, chemistry, engineering, mathematics and biology. It seeks to understand biomolecular systems and explain biological function in terms of molecular structure, structural organization, and dynamic behaviour at various levels of complexity. This discipline covers topics such as the measurement of molecular forces, molecular associations, allosteric interactions, Brownian motion, and cable theory. Additional areas of study can be found on Outline of Biophysics. The discipline has required development of specialized equipment and procedures capable of imaging and manipulating minute living structures, as well as novel experimental approaches.

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Peter Dervan

Peter B. Dervan is the Bren Professor of Chemistry at the California Institute of Technology. The primary focus of his research is the development and study of small organic molecules that can sequence-specifically recognize DNA, a field in which he is an internationally recognized authority. The most important of these small molecules are pyrrole–imidazole polyamides. Dervan is credited with influencing "the course of research in organic chemistry through his studies at the interface of chemistry and biology" as a result of his work on "the chemical principles involved in sequence-specific recognition of double helical DNA". He is the recipient of many awards, including the National Medal of Science (2006).

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Strigolactone

Strigolactones are a group of chemical compounds produced by a plant's roots. Due to their mechanism of action, these molecules have been classified as plant hormones or phytohormones. So far, strigolactones have been identified to be responsible for three different physiological processes: First, they promote the germination of parasitic organisms that grow in the host plant's roots, such as Strigalutea and other plants of the genus Striga. Second, strigolactones are fundamental for the recognition of the plant by symbiotic fungi, especially arbuscular mycorrhizal fungi, because they establish a mutualistic association with these plants, and provide phosphate and other soil nutrients. Third, strigolactones have been identified as branching inhibition hormones in plants; when present, these compounds prevent excess bud growing in stem terminals, stopping the branching mechanism in plants.

References

  1. Ojima, Iwao (2009). Fluorine in Medicinal Chemistry and Chemical Biology. West Sussex: John Wiley & Sons, Ltd., Publications. p. 411. ISBN   9781405167208.
  2. Richards-Kortum, Rebecca (2010). Biomedical Engineering for Global Health. Cambridge: Cambridge University Press. p. 178. ISBN   9780521877978.
  3. Kombrink, Erich; Kaiser, Markus (2016). When Chemistry Meets Biology – Generating Innovative Concepts, Methods and Tools for Scientific Discovery in the Plant Sciences. Lausanne: Frontiers Media SA. p. 90. ISBN   9782889199280.