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Related Concept Videos

Covalent Bonds01:29

Covalent Bonds

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Covalent Bonds01:08

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When two atoms share electrons to complete their valence shells, they create a covalent bond. An atom's electronegativity—the force with which shared electrons are pulled towards an atom—determines how the electrons are shared. Molecules formed with covalent bonds can be either polar or nonpolar. Atoms with similar electronegativities form nonpolar covalent bonds; the electrons are shared equally. Atoms with different electronegativities share electrons unequally,...
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Compared to ionic bonds, which results from the transfer of electrons between metallic and nonmetallic atoms, covalent bonds result from the mutual attraction of atoms for a “shared” pair of electrons.
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Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
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Covalent bonds are formed between two atoms when both have similar tendencies to attract electrons to themselves (i.e., when both atoms have identical or fairly similar ionization energies and electron affinities). Nonmetal atoms frequently form covalent bonds with other nonmetal atoms. For example, the hydrogen molecule, H2, contains a covalent bond between its two hydrogen atoms. When two separate hydrogen atoms with a particular potential energy approach each other, their valence orbitals...
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The Equilibrium Binding Constant and Binding Strength02:18

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The equilibrium binding constant (Kb) quantifies the strength of a protein-ligand interaction. Kb can be calculated as follows when the reaction is at equilibrium:
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cBinderDB: a covalent binding agent database.

Jiewen Du, Xin Yan, Zhihong Liu

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    |December 25, 2016
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    Summary
    This summary is machine-generated.

    Scientists developed cBinderDB, the first database for covalent binding compounds, their targets, and properties. This resource aids in discovering novel covalent ligands for various diseases, addressing a critical gap in drug development.

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    Area of Science:

    • Drug discovery and development
    • Medicinal chemistry
    • Computational chemistry

    Background:

    • Non-covalent binding agents have historically been favored in drug development due to favorable toxicity profiles.
    • Recent years have seen a surge in interest towards covalent binding agents, which show significant advantages for treating infections, cancers, and other diseases.
    • Despite their therapeutic potential, a lack of centralized resources hinders the discovery and development of covalent ligands.

    Purpose of the Study:

    • To introduce cBinderDB, the first comprehensive online database for covalent binding compounds.
    • To provide detailed information on covalent binder structures, chemotypes, targets, binding types, and biological properties.
    • To support and accelerate the discovery of novel covalent drug candidates.

    Main Methods:

    • Data collection through a combination of text mining and manual curation of scientific publications.
    • Annotation of covalent binding targets with functional information, protein family, gene details, and structural data.
    • Development of an online platform for accessible data retrieval.

    Main Results:

    • cBinderDB is the first online database specifically for covalent binding compounds, launched in September 2016.
    • The database includes information on compound structures, chemotypes, targets, binding mechanisms, and associated biological properties.
    • Covalent binding targets are extensively annotated, including biological functions, protein family, gene information, and receptor-ligand complex structures.

    Conclusions:

    • cBinderDB serves as a valuable, freely accessible resource for researchers in the pharmaceutical and scientific communities.
    • The database addresses the unmet need for a centralized repository to support covalent ligand discovery.
    • Facilitating the exploration of covalent binders can lead to the development of innovative therapeutics for a range of diseases.