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Related Concept Videos

Polymer Classification: Stereospecificity01:26

Polymer Classification: Stereospecificity

Polymerization generates chiral centers along the entire backbone of a polymer chain. Accordingly, the stereochemistry of the substituent group has a significant effect on polymer properties. Polymers formed from monosubstituted alkene monomers feature chiral carbons at every alternate position in the polymer backbone. Relative to the predominant orientation of substituents at the adjacent chiral carbons, the polymer can exist in three different configurations: isotactic, syndiotactic, and...
Classification and Mechanical Properties of Synthetic Polymers01:28

Classification and Mechanical Properties of Synthetic Polymers

Synthetic polymers are classified as elastomers, fibers, or plastics based on their crystallinity. Crystallinity, the degree of long-range order in the solid state, influences the mechanical properties (stretching or contracting) of elastomers. Elastomers are flexible polymers that can expand or contract easily upon the application of an external force. They have numerous crosslinks that pull them back into their original shape when stress is removed. Silicones, for instance, are highly elastic...
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Molecular 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.
Plasticity00:58

Plasticity

Plasticity is the property where an object loses its elasticity and undergoes irreversible deformation, even after the deformation forces are eliminated. If a material deforms irreversibly without increasing stress or load, then this is called ideal plasticity. For example, when a force is applied to an aluminum rod, it changes its shape, but it does not return to its original shape once the force is removed. Plastic deformation or ductility is thus a permanent deformation or change in the...
Polymer Classification: Architecture01:14

Polymer Classification: Architecture

Polymers are classified as linear or branched on the basis of their chain architecture. The polymer chains in linear polymers have a long chain-like structure with minimal to no branching at all. Even if a polymer features large substituent groups on the monomer, which appear as branches to the skeleton, it is not considered a branched polymer. A branched polymer contains secondary polymer chains that arise from the main polymer chain. The branching occurs when the polymer growth shifts from...
Woodward–Hoffmann Selection Rules and Microscopic Reversibility01:34

Woodward–Hoffmann Selection Rules and Microscopic Reversibility

Electrocyclic reactions, cycloadditions, and sigmatropic rearrangements are concerted pericyclic reactions that proceed via a cyclic transition state. These reactions are stereospecific and regioselective. The stereochemistry of the products depends on the symmetry characteristics of the interacting orbitals and the reaction conditions. Accordingly, pericyclic reactions are classified as either symmetry-allowed or symmetry-forbidden. Woodward and Hoffmann presented the selection criteria for...

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Mapping Molecular Diffusion in the Plasma Membrane by Multiple-Target Tracing (MTT)
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Published on: May 27, 2012

Chemodiversity and molecular plasticity: recognition processes as explored by property spaces.

Giulio Vistoli1, Alessandro Pedretti, Bernard Testa

  • 1Dipartimento di Scienze Farmaceutiche Pietro Pratesi, Facoltà di Farmacia, Università degli Studi di Milano, Via Mangiagalli, 25, I-20133 Milano, Italy. Giulio.Vistoli@unimi.it

Future Medicinal Chemistry
|June 29, 2011
PubMed
Summary

Exploring molecular flexibility in drug design is crucial. Property spaces, like lipophilicity space, capture molecular variability and dynamic behavior, enhancing drug discovery and pharmaceutical sciences.

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Mapping Molecular Diffusion in the Plasma Membrane by Multiple-Target Tracing (MTT)
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Area of Science:

  • Computational chemistry
  • Medicinal chemistry
  • Drug discovery

Background:

  • Molecular flexibility is increasingly recognized as vital in drug design.
  • Traditional methods often overlook the dynamic behavior of molecular properties.
  • The concept of property space offers a novel way to represent molecular variability.

Purpose of the Study:

  • To review applications of property spaces, particularly lipophilicity space, in various scientific domains.
  • To highlight how property spaces can account for dynamic molecular behavior often neglected in current descriptors.
  • To introduce concepts like molecular sensitivity and plasticity for understanding molecular adaptation.

Main Methods:

  • Review of existing literature and applications of property space concepts.
  • Analysis of how property spaces can be used to derive new descriptors.
  • Exploration of property space in the context of molecular recognition, binding, and simulations.

Main Results:

  • Property spaces, including lipophilicity space, effectively describe molecular variability and dynamic properties.
  • Applications demonstrated in understanding environmental constraints, molecular recognition, and protein simulations.
  • Property spaces yield informative descriptors for quantitative structure-activity relationships (QSAR).

Conclusions:

  • The property space concept bridges the gap in accounting for dynamic molecular behavior in drug design.
  • It introduces innovative concepts like molecular sensitivity and plasticity, enhancing understanding of molecular adaptation.
  • Property spaces offer powerful tools for drug design and pharmaceutical sciences, improving descriptor generation and biological insights.