FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4220803310> ?p ?o ?g. }

• W4220803310 abstract "The identification of similar three-dimensional (3D) amino acid patterns among different proteins might be helpful to explain the polypharmacological profile of many currently used drugs. Also, it would be a reasonable first step for the design of novel multitarget compounds. Most of the current computational tools employed for this aim are limited to the comparisons among known binding sites, and do not consider several additional important 3D patterns such as allosteric sites or other conserved motifs. In the present work, we introduce Geomfinder2.0, which is a new and improved version of our previously described algorithm for the deep exploration and discovery of similar and druggable 3D patterns. As compared with the original version, substantial improvements that have been incorporated to our software allow: (i) to compare quaternary structures, (ii) to deal with a list of pairs of structures, (iii) to know how druggable is the zone where similar 3D patterns are detected and (iv) to significantly reduce the execution time. Thus, the new algorithm achieves up to 353x speedup as compared to the previous sequential version, allowing the exploration of a significant number of quaternary structures in a reasonable time. In order to illustrate the potential of the updated Geomfinder version, we show a case of use in which similar 3D patterns were detected in the cardiac ions channels NaV1.5 and TASK-1. These channels are quite different in terms of structure, sequence and function and both have been regarded as important targets for drugs aimed at treating atrial fibrillation. Finally, we describe the in vitro effects of tafluprost (a drug currently used to treat glaucoma, which was identified as a novel putative ligand of NaV1.5 and TASK-1) upon both ion channels' activity and discuss its possible repositioning as a novel antiarrhythmic drug." @default.
• W4220803310 created "2022-04-03" @default.
• W4220803310 creator A5004785517 @default.
• W4220803310 creator A5009272032 @default.
• W4220803310 creator A5018304322 @default.
• W4220803310 creator A5037999983 @default.
• W4220803310 creator A5084498827 @default.
• W4220803310 creator A5086802206 @default.
• W4220803310 creator A5087017698 @default.
• W4220803310 creator A5087949527 @default.
• W4220803310 date "2022-03-18" @default.
• W4220803310 modified "2023-09-26" @default.
• W4220803310 title "A New Strategy for Multitarget Drug Discovery/Repositioning Through the Identification of Similar 3D Amino Acid Patterns Among Proteins Structures: The Case of Tafluprost and its Effects on Cardiac Ion Channels" @default.
• W4220803310 cites W1066550643 @default.
• W4220803310 cites W111522839 @default.
• W4220803310 cites W1485382552 @default.
• W4220803310 cites W1979414133 @default.
• W4220803310 cites W1986046522 @default.
• W4220803310 cites W1988437166 @default.
• W4220803310 cites W1988888548 @default.
• W4220803310 cites W1991445257 @default.
• W4220803310 cites W1993212587 @default.
• W4220803310 cites W2003364609 @default.
• W4220803310 cites W2017975008 @default.
• W4220803310 cites W2018216361 @default.
• W4220803310 cites W2019971393 @default.
• W4220803310 cites W2033591223 @default.
• W4220803310 cites W2041417685 @default.
• W4220803310 cites W2060109055 @default.
• W4220803310 cites W2094813736 @default.
• W4220803310 cites W2133447437 @default.
• W4220803310 cites W2160672469 @default.
• W4220803310 cites W2164088236 @default.
• W4220803310 cites W2310454444 @default.
• W4220803310 cites W2313577593 @default.
• W4220803310 cites W2322633051 @default.
• W4220803310 cites W2335469959 @default.
• W4220803310 cites W2339091785 @default.
• W4220803310 cites W2409176179 @default.
• W4220803310 cites W2517797731 @default.
• W4220803310 cites W2593688045 @default.
• W4220803310 cites W2605158478 @default.
• W4220803310 cites W2755928239 @default.
• W4220803310 cites W2783897572 @default.
• W4220803310 cites W2799627453 @default.
• W4220803310 cites W2884283282 @default.
• W4220803310 cites W2884740260 @default.
• W4220803310 cites W2889325774 @default.
• W4220803310 cites W2892996644 @default.
• W4220803310 cites W2900167333 @default.
• W4220803310 cites W2911848688 @default.
• W4220803310 cites W2917655929 @default.
• W4220803310 cites W2921651792 @default.
• W4220803310 cites W2939998722 @default.
• W4220803310 cites W2954166321 @default.
• W4220803310 cites W3006663892 @default.
• W4220803310 cites W3031591723 @default.
• W4220803310 cites W3085687654 @default.
• W4220803310 cites W3133751176 @default.
• W4220803310 cites W3158663529 @default.
• W4220803310 cites W3165580511 @default.
• W4220803310 cites W3180680837 @default.
• W4220803310 doi "https://doi.org/10.3389/fphar.2022.855792" @default.
• W4220803310 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35370665" @default.
• W4220803310 hasPublicationYear "2022" @default.
• W4220803310 type Work @default.
• W4220803310 citedByCount "4" @default.
• W4220803310 countsByYear W42208033102022 @default.
• W4220803310 countsByYear W42208033102023 @default.
• W4220803310 crossrefType "journal-article" @default.
• W4220803310 hasAuthorship W4220803310A5004785517 @default.
• W4220803310 hasAuthorship W4220803310A5009272032 @default.
• W4220803310 hasAuthorship W4220803310A5018304322 @default.
• W4220803310 hasAuthorship W4220803310A5037999983 @default.
• W4220803310 hasAuthorship W4220803310A5084498827 @default.
• W4220803310 hasAuthorship W4220803310A5086802206 @default.
• W4220803310 hasAuthorship W4220803310A5087017698 @default.
• W4220803310 hasAuthorship W4220803310A5087949527 @default.
• W4220803310 hasBestOaLocation W42208033101 @default.
• W4220803310 hasConcept C104317684 @default.
• W4220803310 hasConcept C10679952 @default.
• W4220803310 hasConcept C116834253 @default.
• W4220803310 hasConcept C14036430 @default.
• W4220803310 hasConcept C166342909 @default.
• W4220803310 hasConcept C170493617 @default.
• W4220803310 hasConcept C41008148 @default.
• W4220803310 hasConcept C54355233 @default.
• W4220803310 hasConcept C59822182 @default.
• W4220803310 hasConcept C60644358 @default.
• W4220803310 hasConcept C70721500 @default.
• W4220803310 hasConcept C74187038 @default.
• W4220803310 hasConcept C86803240 @default.
• W4220803310 hasConceptScore W4220803310C104317684 @default.
• W4220803310 hasConceptScore W4220803310C10679952 @default.
• W4220803310 hasConceptScore W4220803310C116834253 @default.
• W4220803310 hasConceptScore W4220803310C14036430 @default.
• W4220803310 hasConceptScore W4220803310C166342909 @default.
• W4220803310 hasConceptScore W4220803310C170493617 @default.
• W4220803310 hasConceptScore W4220803310C41008148 @default.
• W4220803310 hasConceptScore W4220803310C54355233 @default.

• next