Publikasi Scopus 2024 per tanggal 31 Mei 2024 (409 artikel)

377

Authors

Safri A.Y.; Harris S.; Haryono P.D.; Budiwan A.B.; Isadora E.; Prawiningrum A.F.; Fadilah F.

Author_Full_Names

Safri, Ahmad Yanuar (57091699300); Harris, Salim (55325116600); Haryono, Putera Dewa (57223016376); Budiwan, Ariane Benina (58937602000); Isadora, Eugenia (58938030800); Prawiningrum, Aisyah Fitriannisa (57221924249); Fadilah, Fadilah (56966708600)

Author S Id

57091699300; 55325116600; 57223016376; 58937602000; 58938030800; 57221924249; 56966708600

Title

Unveiling Potential Therapies: Molecular Docking Analysis of CAMKK2 and Its Mutant Variants with CAMKK2 Inhibitors in Indonesian Patients with HIV-Sensory Neuropathy

Year

2024

Source Title

Pharmacognosy Journal

Volume

Issue

Art No

Page Start

Page End

Page Count

Cited By

Link

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85187638559&doi=10.5530%2fpj.2024.16.7&partnerID=40&md5=4fdb98e47f6aad3029cefe76244eb9ca

Affiliations

Doctoral Program in Biomedical Sciences, Faculty of Medicine Universitas, Indonesia; Neurology Department, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia; Neurology Department, Cipto Mangunkusumo Hospital, Jakarta, Indonesia; Bioinformatics Core Facilities IMERI, Medical Chemistry Department, Indonesia; Faculty of Medicine Universitas Indonesia, Jakarta, Indonesia

Authors With Affiliations

Safri A.Y., Doctoral Program in Biomedical Sciences, Faculty of Medicine Universitas, Indonesia, Neurology Department, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia, Neurology Department, Cipto Mangunkusumo Hospital, Jakarta, Indonesia; Harris S., Neurology Department, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia, Neurology Department, Cipto Mangunkusumo Hospital, Jakarta, Indonesia; Haryono P.D., Neurology Department, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia, Neurology Department, Cipto Mangunkusumo Hospital, Jakarta, Indonesia; Budiwan A.B., Neurology Department, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia, Neurology Department, Cipto Mangunkusumo Hospital, Jakarta, Indonesia; Isadora E., Neurology Department, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia, Neurology Department, Cipto Mangunkusumo Hospital, Jakarta, Indonesia; Prawiningrum A.F., Bioinformatics Core Facilities IMERI, Medical Chemistry Department, Indonesia; Fadilah F., Bioinformatics Core Facilities IMERI, Medical Chemistry Department, Indonesia, Faculty of Medicine Universitas Indonesia, Jakarta, Indonesia

Abstract

HIV sensory neuropathy (HIV-SN) is one among many complications that impair patients' quality of life. Studies in Asian and African populations found that single nucleotide polymorphisms (SNPs) of calcium/calmodulin-dependent protein kinase 2 (CAMKK2) influence the risk of HIV-SN. This study attempts to explain the influence of CAMKK2 mutations on HIV SN by studying bioinformatics interactions between CAMKK2, its mutants, and their inhibitors by molecular docking with AutoDock in order to observe their interactions with CAMKK2 inhibitors. Results showed that CAMKK2's binding energy with its native ligand (ATP) is stronger than the mutant variant of CAMKK2MT85 and CAMKK2MT363. Conversely, interaction between CAMKK2 and its inhibitors (KN-93, STO-609, and trifluoperazine) have the lowest mean binding energy compared to CAMKK2MT85 and CAMKK2MT363. This indicates that the mutant variants have weaker interactions with the native ligand and the inhibitors, therefore disrupting the normal function of CAMKK2, its interactions with the inhibitors, while increasing the likelihood of HIV-SN. © 2024 Phcogj.Com.

Author Keywords

CAMKK2 inhibitors; HIV-SN; molecular docking; mutation; SNP

Index Keywords

adenosine triphosphate; amino acid; calcium calmodulin dependent protein kinase; calcium calmodulin dependent protein kinase II; cysteine; n [2 [[n [3 (4 chlorophenyl) 2 propenyl] n methylamino]methyl]phenyl] n (2 hydroxyethyl) 4 methoxybenzenesulfonamide; serine; threonine; trifluoperazine; adult; alpha helix; amino acid sequence; Article; beta sheet; bioinformatics; exon; gene mutation; genetic analysis; genetics; human; Indonesian; intron; major clinical study; molecular docking; molecular interaction; multivariate analysis; mutant; pathogenesis; protein secondary structure; protein structure; retrospective study; sensory neuropathy; single nucleotide polymorphism; triple helix

Funding Details

Funding Text

Publisher

EManuscript Technologies

Issn

09753575

Isbn

Pubmed Id

Document Type

Article

Sjr Best Quartile

Sjr

229

Sjr Rank

17759