4.6 Article

Novel Potential Janus Kinase Inhibitors with Therapeutic Prospects in Rheumatoid Arthritis Addressed by In Silico Studies

Related references

Note: Only part of the references are listed.
Review Cell Biology

Nanomedical approaches in the realm of rheumatoid arthritis

Andrei-Flavius Radu et al.

Summary: Rheumatoid arthritis (RA) is an autoimmune inflammatory disorder characterized by bone and cartilage damage in the synovium, resulting in joint impairment and increased mortality rate. Despite recent improvements in RA treatment, only a small fraction of patients achieve clinical remission without ongoing immunosuppressive drugs. Research on RA nano therapies has increased due to their potential advantages over traditional systemic treatments. Nanotherapeutic techniques, specifically drug delivery nano systems, offer new approaches to overcome the limitations of existing treatments by precisely delivering therapeutic drugs to affected sites.

AGEING RESEARCH REVIEWS (2023)

Article Rheumatology

EULAR recommendations for the management of rheumatoid arthritis with synthetic and biological disease-modifying antirheumatic drugs: 2022 update

Josef S. Smolen et al.

Summary: This study provides an update on the management recommendations for rheumatoid arthritis (RA) based on the latest developments in the field. The recommendations cover various aspects including medication use, combination therapy, treatment strategies, and dose reduction. The consensus was reached on 5 overarching principles and 11 specific recommendations.

ANNALS OF THE RHEUMATIC DISEASES (2023)

Article Rheumatology

Effect of JAK inhibitors on high- and low-density lipoprotein in patients with rheumatoid arthritis: a systematic review and network meta-analysis

Na Li et al.

Summary: This study systematically reviewed and analyzed the effects of JAK inhibitors on HDL and LDL levels in RA patients. The results showed that all five JAK inhibitors led to an increase in HDL and LDL levels, but did not significantly affect cardiovascular disease risk.

CLINICAL RHEUMATOLOGY (2022)

Article Biochemistry & Molecular Biology

The SwissSimilarity 2021 Web Tool: Novel Chemical Libraries and Additional Methods for an Enhanced Ligand-Based Virtual Screening Experience

Maiia E. Bragina et al.

Summary: SwissSimilarity is a web tool for virtual screening of chemical libraries to find molecules similar to a compound of interest. The new version offers additional methods for estimating molecular similarity and improved user experience.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2022)

Review Rheumatology

Janus kinase-targeting therapies in rheumatology: a mechanisms-based approach

Yoshiya Tanaka et al.

Summary: This Review discusses the therapeutic use of Janus kinase inhibitors in autoimmune rheumatic diseases, highlighting their disease-specific mechanisms of action. JAK inhibitors suppress intracellular signaling mediated by multiple cytokines, offering potential treatment options for a range of immune and inflammatory disorders.

NATURE REVIEWS RHEUMATOLOGY (2022)

Article Chemistry, Multidisciplinary

Unraveling the Molecular Mechanism of Recognition of Selected Next-Generation Antirheumatoid Arthritis Inhibitors by Janus Kinase 1

Md Fulbabu Sk et al.

Summary: In this study, the mechanism of binding of baricitinib, filgotinib, itacitinib, and upadacitinib to JAK1 was investigated using molecular docking, molecular dynamics simulation, and binding free energy calculation methods. The study found that upadacitinib showed higher selectivity to JAK1 and the JAK1/baricitinib complex exhibited higher stability compared to the other systems.

ACS OMEGA (2022)

Review Rheumatology

Filgotinib, a novel JAK1-preferential inhibitor for the treatment of rheumatoid arthritis: An overview from clinical trials

Yoshiya Tanaka et al.

Summary: Filgotinib, a Janus kinase inhibitor, has shown promise in treating patients with moderately-to-severely active rheumatoid arthritis in clinical studies. It received regulatory approval in Japan and Europe in 2020, though the US FDA requested additional data to assess its potential impact on sperm parameters. Expert opinions on the use of jakinibs for RA treatment will be provided based on basic research and clinical practice.

MODERN RHEUMATOLOGY (2022)

Article Medicine, Research & Experimental

In-depth bibliometric analysis and current scientific mapping research in the context of rheumatoid arthritis pharmacotherapy

Andrei-Flavius Radu et al.

Summary: Rheumatoid arthritis is a chronic autoimmune disorder, and pharmacotherapy plays a crucial role in its treatment. This study provides a comprehensive analysis of RA pharmacotherapy in terms of scientific impact, current research status, and trends, which is important for improving disease outcomes.

BIOMEDICINE & PHARMACOTHERAPY (2022)

Article Immunology

Mechanistic insights into the role of B cells in rheumatoid arthritis

Anuja Singh et al.

Summary: Rheumatoid arthritis is an autoimmune disease characterized by severe inflammation that damages tendons, cartilage, and bones. B cells play a significant role in the pathogenesis of RA, and targeting B cells has shown therapeutic efficacy in treating autoantibody-related conditions, including RA. The development of B-cell-targeted therapies has led to a better understanding of the diverse roles of B cells in autoimmune diseases and their potential as effective treatment targets.

INTERNATIONAL IMMUNOPHARMACOLOGY (2021)

Review Nutrition & Dietetics

Targeting Probiotics in Rheumatoid Arthritis

Simona Gabriela Bungau et al.

Summary: Rheumatoid arthritis (RA) is a progressive inflammatory disorder that can be caused by genetic, environmental, and gut microbiota imbalance factors. Probiotics, such as Lactobacillus, may help alleviate RA symptoms and could be a potential therapeutic option for treatment.

NUTRIENTS (2021)

Article Rheumatology

JAK selectivity and the implications for clinical inhibition of pharmacodynamic cytokine signalling by filgotinib, upadacitinib, tofacitinib and baricitinib

Paqui G. Traves et al.

Summary: JAKinibs, including filgotinib, show varying degrees of potency in inhibiting different JAK-dependent pathways in both healthy and RA blood. Filgotinib demonstrates the highest selectivity for JAK1 pathways compared to other JAKinibs, with less inhibition of JAK2-dependent and JAK3-dependent pathways. Ex vivo pharmacodynamic data from phase 1 healthy volunteers confirms the JAK1 selectivity of filgotinib.

ANNALS OF THE RHEUMATIC DISEASES (2021)

Review Immunology

The pre-clinical phase of rheumatoid arthritis: From risk factors to prevention of arthritis

Nora Petrovska et al.

Summary: Rheumatoid arthritis (RA) is a chronic autoimmune disease involving a multistep process, with the combination of ACPA and RF increasing the risk of RA development. Early detection of ACPA can predict the onset of RA, and intervention targeting at-risk populations in different stages of RA may be crucial in preventing the disease.

AUTOIMMUNITY REVIEWS (2021)

Article Immunology

Tofacitinib Suppresses Several JAK-STAT Pathways in Rheumatoid Arthritis In Vivo and Baseline Signaling Profile Associates With Treatment Response

Maaria Palmroth et al.

Summary: Tofacitinib suppresses multiple JAK-STAT pathways in a cytokine and cell population specific manner in rheumatoid arthritis patients. Besides directly inhibiting JAK activation, tofacitinib downregulates the expression of JAK-STAT pathway components. Baseline immunological markers are associated with treatment response to tofacitinib.

FRONTIERS IN IMMUNOLOGY (2021)

Review Immunology

Molecular and Cellular Heterogeneity in Rheumatoid Arthritis: Mechanisms and Clinical Implications

Jianan Zhao et al.

Summary: Rheumatoid arthritis displays significant clinical heterogeneity and personalized responsiveness to standard treatments, with understanding individual variation in cellular and molecular mechanisms being crucial for improving patient outcomes. Pathological heterogeneity derived from genetic, molecular, and cellular factors influences precision medicine and personalized treatment approaches for rheumatoid arthritis.

FRONTIERS IN IMMUNOLOGY (2021)

Article Chemistry, Medicinal

Targeting the JAK/STAT Pathway: A Combined Ligand- and Target-Based Approach

Maria Galvez-Llompart et al.

Summary: The study explores inhibiting the JAK-STAT signaling pathway as a potential strategy for treating autoimmune and inflammatory disorders. Through computational molecular topology, docking, and molecular dynamics simulations, novel JAK inhibitors were identified, with two hit compounds showing promising results compared to the reference drug Tofacitinib.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2021)

Review Immunology

Promising Therapeutic Targets for Treatment of Rheumatoid Arthritis

Jie Huang et al.

Summary: Rheumatoid arthritis (RA) is a systemic poly-articular chronic autoimmune joint disease that affects a significant portion of the global population. While progress has been made with disease-modifying antirheumatic drugs, there is still a need for new therapeutic targets and approaches for some patients with limited response to existing treatments.

FRONTIERS IN IMMUNOLOGY (2021)

Review Biochemistry & Molecular Biology

The JAK/STAT signaling pathway: from bench to clinic

Xiaoyi Hu et al.

Summary: The JAK/STAT signaling pathway is a crucial cellular signal transduction pathway, associated with various cancers and autoimmune diseases. Researchers discussed the composition, activation, and regulation of this pathway, as well as its role in diseases.

SIGNAL TRANSDUCTION AND TARGETED THERAPY (2021)

Proceedings Paper Materials Science, Multidisciplinary

Comparative molecular docking studies of phytochemicals as Jak2 inhibitors using Autodock and ArgusLab

A. S. Achutha et al.

Summary: This study investigated the docking of molecules with JAK2 inhibitory activity and phytochemicals with anticancer properties using different software, showing that Autodock performs better in binding energy correlation with biological activity compared to ArgusLab, providing potential candidates for novel JAK2 inhibitors.

MATERIALS TODAY-PROCEEDINGS (2021)

Article Immunology

Translating JAKs to Jakinibs

Massimo Gadina et al.

JOURNAL OF IMMUNOLOGY (2020)

Review Chemistry, Multidisciplinary

Structure-Based Virtual Screening: From Classical to Artificial Intelligence

Eduardo Habib Bechelane Maia et al.

FRONTIERS IN CHEMISTRY (2020)

Review Immunology

JAK Inhibitors in Rheumatoid Arthritis: An Evidence-Based Review on the Emerging Clinical Data

Robert Harrington et al.

JOURNAL OF INFLAMMATION RESEARCH (2020)

Article Pharmacology & Pharmacy

Peficitinib: First Global Approval

Anthony Markham et al.

DRUGS (2019)

Review Rheumatology

Clinical significance of Janus Kinase inhibitor selectivity

Ernest H. Choy

RHEUMATOLOGY (2019)

Article Mathematical & Computational Biology

Design of novel JAK3 Inhibitors towards Rheumatoid Arthritis using molecular docking analysis

Divya Jain et al.

BIOINFORMATION (2019)

Review Medicine, General & Internal

Rheumatoid Arthritis: A Brief Overview of the Treatment

Jacqueline Bullock et al.

MEDICAL PRINCIPLES AND PRACTICE (2018)

Review Cell & Tissue Engineering

Rheumatoid arthritis: pathological mechanisms and modern pharmacologic therapies

Qiang Guo et al.

BONE RESEARCH (2018)

Article Rheumatology

In vitro and in vivo characterization of the JAK1 selectivity of upadacitinib (ABT-494)

Julie M. Parmentier et al.

BMC RHEUMATOLOGY (2018)

Article Biochemistry & Molecular Biology

Molecular modeling-driven approach for identification of Janus kinase 1 inhibitors through 3D-QSAR, docking and molecular dynamics simulations

Ramesh Itteboina et al.

JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION (2017)

Article Rheumatology

Human Leukocyte Antigen-Disease Associations in Rheumatoid Arthritis

Vincent van Drongelen et al.

RHEUMATIC DISEASE CLINICS OF NORTH AMERICA (2017)

Review Rheumatology

Cytochrome P450 interactions and clinical implication in rheumatology

Audrey Cayot et al.

CLINICAL RHEUMATOLOGY (2014)

Article Pharmacology & Pharmacy

Preclinical to Clinical Translation of Tofacitinib, a Janus Kinase Inhibitor, in Rheumatoid Arthritis

Martin E. Dowty et al.

JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS (2014)

Article Chemistry, Medicinal

Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

Xuan-Yu Meng et al.

Current Computer-Aided Drug Design (2012)

Review Medicine, General & Internal

MECHANISMS OF DISEASE The Pathogenesis of Rheumatoid Arthritis

Iain B. McInnes et al.

NEW ENGLAND JOURNAL OF MEDICINE (2011)

Article Chemistry, Multidisciplinary

Open Babel: An open chemical toolbox

Noel M. O'Boyle et al.

JOURNAL OF CHEMINFORMATICS (2011)

Article Chemistry, Medicinal

Extended-Connectivity Fingerprints

David Rogers et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)

Article Chemistry, Multidisciplinary

AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility

Garrett M. Morris et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)