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

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

(2021) Rashid Waseem et al.   ACS Omega

In-silico studies and wet lab validation of Camptothecin derivatives for anti-cancer activity against liver (HepG2) and lung (A549) cancer cell lines

(2021) Komal Kalani et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

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

(2021) Dharmendra Kumar Yadav   CURRENT TOPICS IN MEDICINAL CHEMISTRY

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

(2021) Mohit K. Tiwari et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Microwave-assisted modified synthesis of C8-analogues of naturally occurring methylxanthines: Synthesis, biological evaluation and their practical applications

(2020) Bharti RajeshKumar Shyamlal et al.   FITOTERAPIA

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

(2020) Dharmendra Kumar Yadav et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

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

(2020) Dharmendra Kumar Yadav et al.   Frontiers in Chemistry

MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer’s Disease Therapy

(2020) Anas Shamsi et al.   Biomolecules

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

(2020) Anas Shamsi et al.   JOURNAL OF MOLECULAR LIQUIDS

Identification of Potential Inhibitors of Calcium/Calmodulin-Dependent Protein Kinase IV from Bioactive Phytoconstituents

(2020) Preeti Gupta et al.   Oxidative Medicine and Cellular Longevity

Rosmarinic Acid Exhibits Anticancer Effects via MARK4 Inhibition

(2020) Saleha Anwar et al.   Scientific Reports

Discovery of Hordenine as a Potential Inhibitor of Pyruvate Dehydrogenase Kinase 3: Implication in Lung Cancer Therapy

(2020) Saleha Anwar et al.   Biomedicines

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

(2020) Saleha Anwar et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

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

(2020) Shama Khan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Indole fragments for the design of lead molecules against pancreatitis

(2019) K. V. Dileep et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular Modeling of Surfactant Micellization Using Solvent Accessible Surface Area

(2019) Hsieh Chen et al.   LANGMUIR

Spectroscopic, calorimetric and molecular docking insight into the interaction of Alzheimer’s drug Donepezil with human transferrin: Implications of Alzheimer’s drug

(2019) Anas Shamsi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Selective Covalent Inhibition of “Allosteric Cys121” Distort the Binding of PTP1B Enzyme: A Novel Therapeutic Approach for Cancer Treatment

(2019) Shama Khan et al.   CELL BIOCHEMISTRY AND BIOPHYSICS

Non-peptide-based new class of platelet aggregation inhibitors: Design, synthesis, bioevaluation, SAR, and in silico studies

(2018) Pradeep K. Jaiswal et al.   ARCHIV DER PHARMAZIE

Reversible versus irreversible inhibition modes of ERK2: a comparative analysis for ERK2 protein kinase in cancer therapy

(2018) Shama Khan et al.   Future Medicinal Chemistry

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

(2018) Farha Naz et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Herbal medicine for idiopathic central precocious puberty

(2018) Hye Lim Lee et al.   MEDICINE

Herbal medicine (Suoquan) for treating nocturnal enuresis

(2018) Yoo Been Lee et al.   MEDICINE

Structural ensemble-based docking simulation and biophysical studies discovered new inhibitors of Hsp90 N-terminal domain

(2018) Hyun-Hwi Kim et al.   Scientific Reports

Molecular Insights into the Interaction of RONS and Thieno[3,2-c]pyran Analogs with SIRT6/COX-2: A Molecular Dynamics Study

(2018) Dharmendra K. Yadav et al.   Scientific Reports

Discovery of C-3 Tethered 2-oxo-benzo[1,4]oxazines as Potent Antioxidants: Bio-Inspired Based Design, Synthesis, Biological Evaluation, Cytotoxic, and in Silico Molecular Docking Studies

(2018) Vashundhra Sharma et al.   Frontiers in Chemistry

Discovery of Aporphine Analogues as Potential Antiplatelet and Antioxidant Agents: Design, Synthesis, Structure-Activity Relationships, Biological Evaluations, and in silico Molecular Docking Studies

(2018) Vashundhra Sharma et al.   ChemMedChem

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

(2018) Tai-Sung Lee et al.   Journal of Chemical Information and Modeling

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

(2018) Mychael V. Lourenco et al.   NATURE MEDICINE

The Role of Irisin in Alzheimer’s Disease

(2018) Oh Kim et al.   Journal of Clinical Medicine

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

(2017) Kangwook Lee et al.   INTERNATIONAL JOURNAL OF MOLECULAR MEDICINE

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

(2017) Yuqing Lin et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2017) Sae Kwang Ku et al.   JOURNAL OF ETHNOPHARMACOLOGY

Elucidation of Dietary Polyphenolics as Potential Inhibitor of Microtubule Affinity Regulating Kinase 4: In silico and In vitro Studies

(2017) Parvez Khan et al.   Scientific Reports

Pharmacological use of a novel scaffold, anomeric N,N-diarylamino tetrahydropyran: molecular similarity search, chemocentric target profiling, and experimental evidence

(2017) Arramshetti Venkanna et al.   Scientific Reports

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

(2016) Sisi Wang et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Ubiquitin-associated domain of MARK4 provides stability at physiological pH

(2016) Farha Naz et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

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

(2016) Farha Naz et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Curcumin hampers the antitumor effect of vinblastine via the inhibition of microtubule dynamics and mitochondrial membrane potential in HeLa cervical cancer cells

(2016) Jae-Wook Lee et al.   PHYTOMEDICINE

Daesiho-Tang Is an Effective Herbal Formulation in Attenuation of Obesity in Mice through Alteration of Gene Expression and Modulation of Intestinal Microbiota

(2016) Ahtesham Hussain et al.   PLoS One

Irisin promotes osteoblast proliferation and differentiation via activating the MAP kinase signaling pathways

(2016) Xiaoyong Qiao et al.   Scientific Reports

Attenuation of synaptic toxicity and MARK4/PAR1-mediated Tau phosphorylation by methylene blue for Alzheimer’s disease treatment

(2016) Wenchao Sun et al.   Scientific Reports

Detection and Quantitation of Circulating Human Irisin by Tandem Mass Spectrometry

(2015) Mark P. Jedrychowski et al.   Cell Metabolism

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

(2015) Gaurav Raj Dwivedi et al.   Chemical Biology & Drug Design

Irisin inhibits hepatic gluconeogenesis and increases glycogen synthesis via the PI3K/Akt pathway in type 2 diabetic mice and hepatocytes

(2015) T.-Y. Liu et al.   CLINICAL SCIENCE

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

(2015) Alberto Perez et al.   Journal of Chemical Theory and Computation

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

(2015) Edward Harder et al.   Journal of Chemical Theory and Computation

Irisin: a new molecular marker and target in metabolic disorder

(2015) Jia-qi Chen et al.   Lipids in Health and Disease

Insights into the binding modes of CC chemokine receptor 4 (CCR4) inhibitors: a combined approach involving homology modelling, docking, and molecular dynamics simulation studies

(2015) Changdev G. Gadhe et al.   Molecular BioSystems

Designing New Kinase Inhibitor Derivatives as Therapeutics Against Common Complex Diseases: Structural Basis of Microtubule Affinity-Regulating Kinase 4 (MARK4) Inhibition

(2015) Farha Naz et al.   OMICS-A JOURNAL OF INTEGRATIVE BIOLOGY

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

(2014) Farha Naz et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

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

(2014) Parvez Khan et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

4-Hydroxy-trans-2-nonenal (4-HNE) induces neuronal SH-SY5Y cell death via hampering ATP binding at kinase domain of Akt1

(2014) Mahendra P. Kashyap et al.   ARCHIVES OF TOXICOLOGY

OriginPro 9.1: Scientific Data Analysis and Graphing Software—Software Review

(2014) E. Seifert   Journal of Chemical Information and Modeling

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

(2014) Michael F. Harrach et al.   JOURNAL OF CHEMICAL PHYSICS

The structural analysis of MARK4 and the exploration of specific inhibitors for the MARK family: a computational approach to obstruct the role of MARK4 in prostate cancer progression

(2014) Pranitha Jenardhanan et al.   Molecular BioSystems

MARK4 and MARK3 associate with early tau phosphorylation in Alzheimer’s disease granulovacuolar degeneration bodies

(2014) Harald Lund et al.   Acta Neuropathologica Communications

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

(2013) Farha Naz et al.   CELL BIOCHEMISTRY AND BIOPHYSICS

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

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

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

(2013) G. Madhavi Sastry et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Irisin, Two Years Later

(2013) Marta G. Novelle et al.   International Journal of Endocrinology

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

(2013) Jong-Hoon Kim et al.   Neuropsychiatric Disease and Treatment

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

(2012) Jong-Hoon Kim et al.   JOURNAL OF CLINICAL PSYCHOPHARMACOLOGY

A PGC1-α-dependent myokine that drives brown-fat-like development of white fat and thermogenesis

(2012) Pontus Boström et al.   NATURE

Predicting protein flexibility through the prediction of local structures

(2010) Aurélie Bornot et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS