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Identifying potential drug targets in the kinomes of two monogenean species Cover

Identifying potential drug targets in the kinomes of two monogenean species

Helminthologia
Volume 61 (2024): Issue 2 (June 2024)
By: V. H. Caña-Bozada,  C. Ovando-Vázquez,  L. C. Flores-Méndez,  J. M. Martínez-Brown and  F. N. Morales-Serna  
Open Access
|Jul 2024

Figures & Tables

Fig. 1.

Bioinformatic pipeline for the identification, classification, and selection of potential drug targets. A) Pipeline for the identification and classification of monogenean kinases. B) Classification of protein kinases. C) Pipeline used for the identification of drug targets. D) Pipeline used for the prioritization of monogenean drug targets (MDTs). ePKs, eukaryotic protein kinases; aPKs, atypical protein kinases; AGC, cAMP-dependent protein kinase/protein kinase G/protein kinase C extended family; CAMK, calcium/calmodulin-dependent kinase; CK1, cell kinase 1; CMGC, cyclin-dependent kinases and other close relatives; PKL, protein kinase-like; RGC, receptor guanylate cyclase; STE, MAP kinase cascade kinases; TK, protein tyrosine kinase; TKL, tyrosine kinase-like.
Bioinformatic pipeline for the identification, classification, and selection of potential drug targets. A) Pipeline for the identification and classification of monogenean kinases. B) Classification of protein kinases. C) Pipeline used for the identification of drug targets. D) Pipeline used for the prioritization of monogenean drug targets (MDTs). ePKs, eukaryotic protein kinases; aPKs, atypical protein kinases; AGC, cAMP-dependent protein kinase/protein kinase G/protein kinase C extended family; CAMK, calcium/calmodulin-dependent kinase; CK1, cell kinase 1; CMGC, cyclin-dependent kinases and other close relatives; PKL, protein kinase-like; RGC, receptor guanylate cyclase; STE, MAP kinase cascade kinases; TK, protein tyrosine kinase; TKL, tyrosine kinase-like.

The highest binding affinities (≤ −9_0 kcal/mol) obtained from molecular docking using a set of FDA-approved drugs_

DrugSpeciesReceptor idBinding affinity (kcal/mol)
DihydroergotamineaS. longicornisContig773.p1 and Contig772.p1−9.7
LomitapidebR. viridisiTRINITY_DN1044_c0_g2_i2.p2−9.5
DihydroergotamineaR. viridisiTRINITY_DN1044_c0_g2_i2.p2−9.4
ErgotaminecS. longicornisContig773.p1 and Contig772.p1−9.2
BicalutamidedR. viridisiContig130.p1−9.1
PiroxicameR. viridisiTRINITY_DN1044_c0_g2_i2.p2−9.0
SuvorexantfR. viridisiTRINITY_DN1044_c0_g2_i2.p2−9.0

Classification of kinases in various platyhelminths_

GroupAGCCAMKCK1CMGCPKLOtherRGCRGC/CAMKSTETKTKLUnknownAtypicalTotal general
MonogeneaR. viridisi291710305252-13199-1160
S. longicornis322711344292-132613-2193
CestodaE. multilocularis43351144-305-254626--265
E. granulosus41351143-305-244222--253
T. solium56361261-37111284523--310
H. microstoma48331364-306-283318--273
TrematodaS. mansoni3438944-393-2734195-252
S. haematobium39419514403-2731204-269
S. japonicum27338416354-233113-1222
F. gigantica44551366-450-353416--308
F. buski33421047-401-233915--250

Kinases of Rhabdosynochus viridisi and Scutogyrus longicornis predicted to be monogenean drug targets (MDTs)_

SpeciesIDClassification (group/family/subfamily)Priority for molecular docking ***
R. viridisiContig3487.p1(CK1/CK1/CK1-A)-
R. viridisiContig474.p1(AGC)-
R. viridisiContig130.p1(AGC/RSK/RSKp70)1**
R. viridisiTRINITY_DN128_c1_g2_i2.p1(TK/Ack)-
R. viridisiTRINITY_DN430_c0_g1_i4.p1(TK/Fer)-
R. viridisiContig2641.p1(AGC/PKG)-
R. viridisiTRINITY_DN4663_c0_g2_i1.p1a(CAMK/CAMKL/BRSK)-
R. viridisiContig4408.p1(CAMK/MLCK)-
R. viridisiContig5219.p1(CMGC/GSK)-
R. viridisiTRINITY_DN1044_c0_g2_i2.p2(STE/STE11/MEKK1)3*
R. viridisiContig3286.p1(CAMK/CAMKL/MARK)-
S. longicornisContig1825.p1(TK/Ack)-
S. longicornisTRINITY_DN2502_c0_g3_i3__g.25108(TK)-
S. longicornisTRINITY_DN770_c0_g1_i4__g.58217(TK/Fer)-
S. longicornisContig3492.p1(AGC/PKG)-
S. longicornisTRINITY_DN1812_c0_g1_i2__g.5503(AGC/RSK/RSKp70)1*
S. longicornisTRINITY_DN7486_c0_g6_i1__g.37596(CAMK/MLCK)-
S. longicornisTRINITY_DN1065_c0_g1_i1__g.51110(CMGC/GSK)-
S. longicornisTRINITY_DN14095_c0_g1_i1__g.60752(CK1/CK1/CK1-A)-
S. longicornisContig772.p1a(CAMK/CAMKL/BRSK)2**
S. longicornisContig773.p1a(CAMK/CAMKL/BRSK)2**
S. longicornisContig3764.p1(CAMK/CAMKL/MARK)-
DOI: https://doi.org/10.2478/helm-2024-0020 | Journal eISSN: 1336-9083 | Journal ISSN: 0440-6605
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Language: English
Page range: 142 - 150
Submitted on: Sep 12, 2023
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Accepted on: May 24, 2024
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Published on: Jul 16, 2024
Published by: Slovak Academy of Sciences, Institute of Parasitology
In partnership with: Paradigm Publishing Services
Publication frequency: Volume open
Keywords:
Ergotamine,
aquaculture,
fish parasites,
genomics,
Diplectanidae,
Dactylogyridae
Related subjects:
Life sciences,
Zoology,
Ecology,
Life sciences, other,
Medicine,
Clinical medicine,
Microbiology, virology and infection epidemiology

© 2024 V. H. Caña-Bozada, C. Ovando-Vázquez, L. C. Flores-Méndez, J. M. Martínez-Brown, F. N. Morales-Serna, published by Slovak Academy of Sciences, Institute of Parasitology
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

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