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279736 occurrences (No.90 in the rank) during 5 years in the PubMed. [cache]

36) In this review, we enumerate the current state of our understanding of the mechanism of allosteric communication in GPCRs with a specific focus on the critical role of computational methods in delineating the residues involved in allosteric communication.

--- ABSTRACT ---

PMID:33738925 DOI:10.1111/febs.15826

2021 The FEBS journal

* Allosteric communication regulates ligand-specific GPCR activity.

- G protein-coupled receptors (GPCRs) are membrane-bound proteins that are ubiquitously expressed in many cell types and take part in mediating multiple signaling pathways. GPCRs are dynamic proteins and exist in an equilibrium between an ensemble of conformational states such as inactive and fully active states. This dynamic nature of GPCRs is one of the factors that confers their basal activity even in the absence of any ligand-mediated activation. Ligands selectively bind and stabilize a subset of the conformations from the ensemble leading to a shift in the equilibrium toward the inactive or the active state depending on the nature of the ligand. This ligand-selective effect is achieved through allosteric communication between the ligand binding site and G protein or β-arrestin coupling site. Similarly, the G protein coupling to the receptor exerts the allosteric effect on the ligand binding region leading to increased binding affinity for agonists and decreased affinity for antagonists or inverse agonists. In this review, we enumerate the current state of our understanding of the mechanism of allosteric communication in GPCRs with a specific focus on the critical role of computational methods in delineating the residues involved in allosteric communication. Analyzing allosteric communication mechanism using molecular dynamics simulations has revealed (a) a structurally conserved mechanism of allosteric communication that regulates the G protein coupling, (b) a rational structure-based approach to designing selective ligands, and (c) an approach to designing allosteric GPCR mutants that are either ligand and G protein or β-arrestin selective.

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(1)18 to	(21)3 for	(41)2 food	(61)2 or
(2)11 and	(22)3 genes	(42)2 foods	(62)2 parameters
(3)8 focus	(23)3 genetic	(43)2 gene	(63)2 patient
(4)7 vulnerability	(24)3 marker	(44)2 granule	(64)2 physical
(5)6 effects	(25)3 mechanisms	(45)2 group	(65)2 proteases
(6)6 factors	(26)3 proteins	(46)2 groups	(66)2 research
(7)5 recommendations	(27)2 GC	(47)2 immune	(67)2 responses
(8)4 IgA	(28)2 N3FA	(48)2 in	(68)2 risk
(9)4 aspects	(29)2 PHC	(49)2 information	(69)2 sensitization
(10)4 cancer	(30)2 antibodies	(50)2 interventional	(70)2 siRNA
(11)4 components	(31)2 antigens	(51)2 interventions	(71)2 social
(12)4 inhibitor	(32)2 area	(52)2 issues	(72)2 spatial
(13)4 population	(33)2 attention	(53)2 knockout	(73)2 study
(14)3 T	(34)2 binding	(54)2 mental	(74)2 target
(15)3 brain	(35)2 biological	(55)2 microbial	(75)2 terms
(16)3 cell	(36)2 biomarkers	(56)2 molecular	(76)2 topics
(17)3 changes	(37)2 cellular	(57)2 mortality	(77)2 treatment
(18)3 counseling	(38)2 clinical	(58)2 mutations	(78)2 type
(19)3 deletion	(39)2 emphasis	(59)2 needs
(20)3 differences	(40)2 factors,	(60)2 online

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--- WordNet output for specific --- =>特有の, 特効薬, 明確な, 特定の, 種の, はっきりした Overview of noun specific The noun specific has 2 senses (no senses from tagged texts) 1. particular, specific -- (a fact about some part (as opposed to general); "he always reasons from the particular to the general") 2. specific -- (a medicine that has a mitigating effect on a specific disease; "quinine is a specific for malaria") Overview of adj specific The adj specific has 4 senses (first 2 from tagged texts) 1. (39) specific -- ((sometimes followed by `to') applying to or characterized by or distinguishing something particular or special or unique; "rules with specific application"; "demands specific to the job"; "a specific and detailed account of the accident") 2. (5) specific -- (stated explicitly or in detail; "needed a specific amount") 3. specific -- (relating to or distinguishing or constituting a taxonomic species; "specific characters") 4. specific -- (being or affecting a disease produced by a particular microorganism or condition; used also of stains or dyes used in making microscope slides; "quinine is highly specific for malaria"; "a specific remedy"; "a specific stain is one having a specific affinity for particular structural elements") --- WordNet end ---