Words similar to complexation
Example sentences for: complexation
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The binding energy function implemented in icm is partitioned into three terms: the hydrophobic, or cavity term, that accounts for the variation of water/non-water interface area, the electrostatic term, composed of the coulombic interactions and desolvation of partial charges calculated by the boundary elements method, and the entropic term, that results from the decrease in the conformational freedom of functional groups buried upon complexation [ 20 ] . A constant term also present in the energy function, that accounts for the change of entropy of the system due to the decrease of free molecules concentration and the loss of rotational/translational degrees of freedom, was omitted, and only differences in the binding energies of the ligands are accurate.
They include: (1) sulfate esters of polysaccharides {carrageenan [ 1 16 17 18 19 ] , cellulose sulfate [ 12 13 14 15 ] , and dextran or dextrin sulfate [ 1 2 3 4 5 6 7 8 9 10 11 ] }; (2) aryl sulfonates {poly(naphthalene sulfonate) [ 22 23 24 ] and poly(styrene-4-sulfonate) [ 20 21 ] }; and (3) aliphatic {Carbomer 974P/BufferGel [ 25 26 27 28 29 ] } and aromatic carboxylates {CAP [ 30 31 32 33 34 35 36 37 ] }. The anti-HIV-1 properties of these polymers are expected to depend on their complexation with virus proteins which is likely to occur mainly through the formation of salt linkages or ion pairs between oppositely charged groups on the polymers and virus proteins, respectively [ 56 ] . However, the anti-HIV-1 properties of these polymers may depend not only on their charge density, but also on the characteristics of their uncharged portions, which may be involved in hydrophobic and hydrogen bonding interactions which can elicit profound conformational changes in hydrophobic regions of proteins and cause disassembly of complex proteins consisting of subunits [ 57 ] . For these reasons it is not be expected that all anionic polymers, considered as anti-HIV-1 microbicides, would have similar biological activities.
lower) than -32 kcal/mol were preselected for a more refined energy minimization procedure, with flexible receptor side chains, and the energy of complexation was predicted as previously described [ 21] (see "Materials and Methods").
Several pharmacological properties of plants reputed to be snakebite antidotes include antimyotoxic, antihaemorrhagic, analgesic, and antiedematogenic, blockage of cutaneous and intraperitoneal capillary permeability activity caused by the venom and protection from its lethality [ 38 ] . A more direct anti-venom activity would involve complexation of the compounds with venom constituents thus rendering them unable to act on receptors; or to act by competitive blocking of the receptors [ 11 ] . Phenolic compounds especially complex polyphenols like some tannins can bind with proteins [ 42 ] . Alternatively, the catecholamines released as a result of venom-receptor interaction may be antagonised or metabolised more quickly [ 11 ] .
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