4.7 Article

MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer's Disease

Related references

Note: Only part of the references are listed.
Article Biochemistry & Molecular Biology

Structure-based identification of potential SARS-CoV-2 main protease inhibitors

Shama Khan et al.

Summary: To address the lack of effective drugs or vaccines for COVID-19, researchers used molecular modeling methods to discover potential inhibitors of the SARS-CoV-2 M-pro enzyme. Through simulation studies, they identified five potential inhibitors, one of which showed high affinity and stability in binding to the M-pro. These compounds could be promising candidates for COVID-19 therapy, but further experimental and clinical validation is needed.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)

Article Chemistry, Medicinal

Novel halogenated arylvinyl-1,2,4 trioxanes as potent antiplasmodial as well as anticancer agents: Synthesis, bioevaluation, structure-activity relationship and in-silico studies

Mohit K. Tiwari et al.

Summary: A series of lipophilic, halogenated-arylvinyl-1,2,4-trioxanes were synthesized and evaluated for their in vitro anti-plasmodial activity, with ten analogues showing potent activity and selective potential against Plasmodium cells. The most active compound, arylvinyl-1,2,4-trioxane 8f(2), exhibited significant cytotoxic potential in comparison to standard drugs against lung cancer cell lines. Furthermore, in-silico docking studies demonstrated strong virtual interaction of the potent halogenated 1,2,4-trioxanes with the epidermal growth factor receptor.

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2021)

Article Chemistry, Multidisciplinary

Multispectroscopic and Molecular Docking Insight into Elucidating the Interaction of Irisin with Rivastigmine Tartrate: A Combinational Therapy Approach to Fight Alzheimer's Disease

Rashid Waseem et al.

Summary: This study reveals a moderate binding between irisin and rivastigmine tartrate, guided by a combination of static and dynamic modes of quenching. The reaction is driven by hydrogen bonding, making it specific and not altering the secondary structure of irisin in the presence of RT. This finding can potentially contribute to the development of irisin-based therapies for Alzheimer's disease.

ACS OMEGA (2021)

Article Chemistry, Medicinal

In-silico Studies and Wet-Lab Validation of Camptothecin Derivatives for Anti-Cancer Activity Against Liver (HepG2) and Lung (A549) Cancer Cell Lines

Komal Kalani et al.

Summary: This study demonstrates the effectiveness of using QSAR modelling, in silico ADMET, docking, chemical semi-synthesis, and in vitro evaluation studies to identify active camptothecin derivatives against cancer-targeting human liver and lung cancer cell lines. The experimental results are consistent with the predicted results, showing promise in the development of anticancer drugs from the natural product camptothecin.

CURRENT TOPICS IN MEDICINAL CHEMISTRY (2021)

Article Chemistry, Medicinal

Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases-Part II

Dharmendra Kumar Yadav

CURRENT TOPICS IN MEDICINAL CHEMISTRY (2021)

Letter Biochemistry & Molecular Biology

Indole fragments for the design of lead molecules against pancreatitis

K. V. Dileep et al.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2020)

Article Biochemistry & Molecular Biology

Ligand-based pharmacophore modeling and docking studies on vitamin D receptor inhibitors

Dharmendra Kumar Yadav et al.

JOURNAL OF CELLULAR BIOCHEMISTRY (2020)

Article Chemistry, Multidisciplinary

Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening Study

Dharmendra Kumar Yadav et al.

FRONTIERS IN CHEMISTRY (2020)

Article Chemistry, Physical

Understanding the binding between Rosmarinic acid and serum albumin: In vitro and in silico insight

Anas Shamsi et al.

JOURNAL OF MOLECULAR LIQUIDS (2020)

Article Multidisciplinary Sciences

Rosmarinic Acid Exhibits Anticancer Effects via MARK4 Inhibition

Saleha Anwar et al.

SCIENTIFIC REPORTS (2020)

Article Biochemistry & Molecular Biology

Structural and biochemical investigation of MARK4 inhibitory potential of cholic acid: Towards therapeutic implications in neurodegenerative diseases

Saleha Anwar et al.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2020)

Article Chemistry, Multidisciplinary

Molecular Modeling of Surfactant Micellization Using Solvent-Accessible Surface Area

Hsieh Chen et al.

LANGMUIR (2019)

Article Biochemistry & Molecular Biology

Exercise-linked FNDC5/irisin rescues synaptic plasticity and memory defects in Alzheimer's models

Mychael V. Lourenco et al.

NATURE MEDICINE (2019)

Article Medicine, Research & Experimental

Herbal prescription, Danggui-Sayuk-Ga-Osuyu-Senggang-Tang, inhibits TNF--induced epithelial-mesenchymal transition in HCT116 colorectal cancer cells

Kangwook Lee et al.

INTERNATIONAL JOURNAL OF MOLECULAR MEDICINE (2018)

Article Biochemistry & Molecular Biology

Investigation of molecular mechanism of recognition between citral and MARK4: A newer therapeutic approach to attenuate cancer cell progression

Farha Naz et al.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2018)

Article Chemistry, Medicinal

GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features

Tai-Sung Lee et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2018)

Review Medicine, General & Internal

The Role of Irisin in Alzheimer's Disease

Oh Yoen Kim et al.

JOURNAL OF CLINICAL MEDICINE (2018)

Article Biochemistry & Molecular Biology

Evaluation of human microtubule affinity-regulating kinase 4 inhibitors: fluorescence binding studies, enzyme, and cell assays

Farha Naz et al.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2017)

Article Chemistry, Physical

Application of Berendsen barostat in dissipative particle dynamics for nonequilibrium dynamic simulation

Yuqing Lin et al.

JOURNAL OF CHEMICAL PHYSICS (2017)

Article Plant Sciences

Ameliorating effects of herbal formula hemomine on experimental subacute hemorrhagic anemia in rats

Sae Kwang Ku et al.

JOURNAL OF ETHNOPHARMACOLOGY (2017)

Article Biochemistry & Molecular Biology

The JAK2 inhibitors CEP-33779 and NVP-BSK805 have high P-gp inhibitory activity and sensitize drug-resistant cancer cells to vincristine

Ji Hyun Cheon et al.

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2017)

Article Chemistry, Physical

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

Edward Harder et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)

Article Biochemistry & Molecular Biology

Irisin ameliorates depressive-like behaviors in rats by regulating energy metabolism

Sisi Wang et al.

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2016)

Article Biochemistry & Molecular Biology

Ubiquitin-associated domain of MARK4 provides stability at physiological pH

Farha Naz et al.

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2016)

Article Cell Biology

Detection and Quantitation of Circulating Human Irisin by Tandem Mass Spectrometry

Mark P. Jedrychowski et al.

CELL METABOLISM (2015)

Article Biochemistry & Molecular Biology

Drug Resistance Reversal Potential of Ursolic Acid Derivatives against Nalidixic Acid- and Multidrug-resistant Escherichia coli

Gaurav Raj Dwivedi et al.

CHEMICAL BIOLOGY & DRUG DESIGN (2015)

Article Chemistry, Physical

Grid-Based Backbone Correction to the ff12SB Protein Force Field for Implicit-Solvent Simulations

Alberto Perez et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

Review Biochemistry & Molecular Biology

Irisin: a new molecular marker and target in metabolic disorder

Jia-qi Chen et al.

LIPIDS IN HEALTH AND DISEASE (2015)

Article Biochemistry & Molecular Biology

Cloning, Expression, Purification and Refolding of Microtubule Affinity-Regulating Kinase 4 Expressed in Escherichia coli

Farha Naz et al.

APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY (2014)

Article Biochemistry & Molecular Biology

Luminol-Based Chemiluminescent Signals: Clinical and Non-clinical Application and Future Uses

Parvez Khan et al.

APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY (2014)

Software Review Chemistry, Medicinal

Origin Pro 9.1: Scientific Data Analysis and Graphing Software-Software Review

E. Seifert

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)

Article Chemistry, Physical

Structure and dynamics of TIP3P, TIP4P, and TIP5P water near smooth and atomistic walls of different hydroaffinity

Michael F. Harrach et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Review Biochemistry & Molecular Biology

Microtubule Affinity-Regulating Kinase 4: Structure, Function, and Regulation

Farha Naz et al.

CELL BIOCHEMISTRY AND BIOPHYSICS (2013)

Article Chemistry, Physical

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

Daniel R. Roe et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Pharmacology & Pharmacy

Effects of Clozapine on Heart Rate Dynamics and Their Relationship With Therapeutic Response in Treatment-Resistant Schizophrenia

Jong-Hoon Kim et al.

JOURNAL OF CLINICAL PSYCHOPHARMACOLOGY (2013)

Article Biochemistry & Molecular Biology

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

G. Madhavi Sastry et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2013)

Review Endocrinology & Metabolism

Irisin, Two Years Later

Marta G. Novelle et al.

INTERNATIONAL JOURNAL OF ENDOCRINOLOGY (2013)

Article Clinical Neurology

Altered heart rate dynamics associated with antipsychotic-induced subjective restlessness in patients with schizophrenia

Jong-Hoon Kim et al.

NEUROPSYCHIATRIC DISEASE AND TREATMENT (2013)

Article Biochemistry & Molecular Biology

Predicting protein flexibility through the prediction of local structures

Aurelie Bornot et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2011)

Article Agriculture, Multidisciplinary

Interaction of different polyphenols with bovine serum albumin (BSA) and human salivary α-amylase (HSA) by fluorescence quenching

Susana Soares et al.

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2007)

Article Computer Science, Interdisciplinary Applications

P-SHAKE:: A quadratically convergent SHAKE in O(n2)

Pedro Gonnet

JOURNAL OF COMPUTATIONAL PHYSICS (2007)

Article Biochemistry & Molecular Biology

PIPER: An FFT-based protein docking program with pairwise potentials

Dima Kozakov et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)

Article Biochemical Research Methods

Automatic atom type and bond type perception in molecular mechanical calculations

Junmei Wang et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2006)

Article Cell Biology

MARK/PAR1 kinase is a regulator of microtubuledependent transport in axons

EM Mandelkow et al.

JOURNAL OF CELL BIOLOGY (2004)

Article Biochemistry & Molecular Biology

Interactions between PAMAM dendrimers and bovine serum albumin

B Klajnert et al.

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2003)

Article Biochemistry & Molecular Biology

The Protein Data Bank

HM Berman et al.

NUCLEIC ACIDS RESEARCH (2000)