ReviewInternational journal of molecular sciences2015
Limitations and extensions of the lock-and-key principle: differences between gas state, solution and solid state structures.
Review in International journal of molecular sciences, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- The astrochemical evolutionary traits of phospholipid membrane homochirality.Nature reviews. Chemistry · 2024Review
- The factors that govern the allosteric chemical sensing of polythiophene chemosensors: scope and limitation toward signal-amplification sensing.RSC advances · 2021Article
- Deuterium equilibrium isotope effects in a supramolecular receptor for the hydrochalcogenide and halide anions.RSC advances · 2021Article
- E-hooks provide guidance and a soft landing for the microtubule binding domain of dynein.Scientific reports · 2018Article
- Systems Pharmacology in Small Molecular Drug Discovery.International journal of molecular sciences · 2016Review
- Insights into Protein-Ligand Interactions: Mechanisms, Models, and Methods.International journal of molecular sciences · 2016Review
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Authors and funding
1 author.
Funding
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Abstract
The lock-and-key concept is discussed with respect to necessary extensions. Formation of supramolecular complexes depends not only, and often not even primarily on an optimal geometric fit between host and guest. Induced fit and allosteric interactions have long been known as important modifications. Different binding mechanisms, the medium used and pH effects can exert a major influence on the affinity. Stereoelectronic effects due to lone pair orientation can lead to variation of binding constants by orders of magnitude. Hydrophobic interactions due to high-energy water inside cavities modify the mechanical lock-and-key picture. That optimal affinities are observed if the cavity is only partially filled by the ligand can be in conflict with the lock-and-key principle. In crystals other forces than those between host and guest often dominate, leading to differences between solid state and solution structures. This is exemplified in particular with calixarene complexes, which by X-ray analysis more often than other hosts show guest molecules outside their cavity. In view of this the particular problems with the identification of weak interactions in crystals is discussed.
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Registered trials
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