Computational approach to decode the mechanism of curcuminoids against neuropathic pain

Molecular Mechanism for the Allosteric Inhibition of the Human Serotonin Transporter by Antidepressant Escitalopram

(2022) Weiwei Xue et al.   ACS Chemical Neuroscience

Mechanisms underlying the therapeutic effects of Qingfeiyin in treating acute lung injury based on GEO datasets, network pharmacology and molecular docking

(2022) Ying Wang et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Chronic nanocurcumin treatment ameliorates pain-related behavior, improves spatial memory, and reduces hippocampal levels of IL-1β and TNFα in the chronic constriction injury model of neuropathic pain

(2021) Sepideh Saffarpour et al.   PSYCHOPHARMACOLOGY

Tracking the interaction between single-wall carbon nanotube and SARS-Cov-2 spike glycoprotein: A molecular dynamics simulations study

(2021) Masume Jomhori et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Targeting COVID-19 (SARS-CoV-2) main protease through active phytocompounds of ayurvedic medicinal plants – Emblica officinalis (Amla), Phyllanthus niruri Linn. (Bhumi Amla) and Tinospora cordifolia (Giloy) – A molecular docking and simulation study

(2021) Selvakumar Murugesan et al.   COMPUTERS IN BIOLOGY AND MEDICINE

TTI-101: A competitive inhibitor of STAT3 that spares oxidative phosphorylation and reverses mechanical allodynia in mouse models of neuropathic pain

(2021) Moses M. Kasembeli et al.   BIOCHEMICAL PHARMACOLOGY

Systematic analysis of the mechanism of Xiaochaihu decoction in hepatitis B treatment via network pharmacology and molecular docking

(2021) Ya Zeng et al.   COMPUTERS IN BIOLOGY AND MEDICINE

De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations

(2021) Amir Hossein Arshia et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Magnesium and Morphine in the Treatment of Chronic Neuropathic Pain–A Biomedical Mechanism of Action

(2021) Kamila Kulik et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

VARIDT 2.0: structural variability of drug transporter

(2021) Tingting Fu et al.   NUCLEIC ACIDS RESEARCH

Proto-oncogene tyrosine-protein kinase SRC (Src) inhibition in microglia relieves neuroinflammation in neuropathic pain mouse models

(2021) Yuanxing Cai et al.   Bioengineered

Curcumin: an inflammasome silencer

(2020) Shima Hassanzadeh et al.   PHARMACOLOGICAL RESEARCH

Injectable PLGA-coated ropivacaine produces a long-lasting analgesic effect on incisional pain and neuropathic pain

(2020) Xue Tian et al.   JOURNAL OF PAIN

The revised International Association for the Study of Pain definition of pain

(2020) Srinivasa N. Raja et al.   PAIN

INTEDE: interactome of drug-metabolizing enzymes

(2020) Jiayi Yin et al.   NUCLEIC ACIDS RESEARCH

K+ Channels in Primary Afferents and Their Role in Nerve Injury-Induced Pain

(2020) Peter A. Smith   Frontiers in Cellular Neuroscience

How Does Chirality Determine the Selective Inhibition of Histone Deacetylase 6? A Lesson from Trichostatin A Enantiomers Based on Molecular Dynamics

(2019) Yang Zhang et al.   ACS Chemical Neuroscience

Demethoxycurcumin: A naturally occurring curcumin analogue for treating non‐cancerous diseases

(2019) Mahdi Hatamipour et al.   JOURNAL OF CELLULAR PHYSIOLOGY

SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules

(2019) Antoine Daina et al.   NUCLEIC ACIDS RESEARCH

VARIDT 1.0: variability of drug transporter database

(2019) Jiayi Yin et al.   NUCLEIC ACIDS RESEARCH

What Contributes to Serotonin–Norepinephrine Reuptake Inhibitors’ Dual-Targeting Mechanism? The Key Role of Transmembrane Domain 6 in Human Serotonin and Norepinephrine Transporters Revealed by Molecular Dynamics Simulation

(2018) Weiwei Xue et al.   ACS Chemical Neuroscience

Exploring the Binding Mechanism of Metabotropic Glutamate Receptor 5 Negative Allosteric Modulators in Clinical Trials by Molecular Dynamics Simulations

(2018) Tingting Fu et al.   ACS Chemical Neuroscience

Blocking Mammalian Target of Rapamycin (mTOR) Alleviates Neuropathic Pain Induced by Chemotherapeutic Bortezomib

(2018) Zongsheng Duan et al.   CELLULAR PHYSIOLOGY AND BIOCHEMISTRY

Computational identification of the binding mechanism of a triple reuptake inhibitor amitifadine for the treatment of major depressive disorder

(2018) Weiwei Xue et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Role of curcumin in the management of pathological pain

(2018) Jia Sun et al.   PHYTOMEDICINE

Demethoxycurcumin: A naturally occurring curcumin analogue with antitumor properties

(2018) Mahdi Hatamipour et al.   JOURNAL OF CELLULAR PHYSIOLOGY

Monoclonal Antibody Targeting the Matrix Metalloproteinase 9 Prevents and Reverses Paclitaxel-Induced Peripheral Neuropathy in Mice

(2018) Raquel Tonello et al.   JOURNAL OF PAIN

STRING v11: protein–protein association networks with increased coverage, supporting functional discovery in genome-wide experimental datasets

(2018) Damian Szklarczyk et al.   NUCLEIC ACIDS RESEARCH

Exercise intervention attenuates neuropathic pain in diabetes via mechanisms of mammalian target of rapamycin (mTOR)

(2018) Xiaohui Ma et al.   ARCHIVES OF PHYSIOLOGY AND BIOCHEMISTRY

Promising anti-tumor properties of bisdemethoxycurcumin: A naturally occurring curcumin analogue

(2017) Mahin Ramezani et al.   JOURNAL OF CELLULAR PHYSIOLOGY

The Antimalarial Effect of Curcumin Is Mediated by the Inhibition of Glycogen Synthase Kinase-3β

(2017) Amatul Hamizah Ali et al.   JOURNAL OF MEDICINAL FOOD

DrugBank 5.0: a major update to the DrugBank database for 2018

(2017) David S Wishart et al.   NUCLEIC ACIDS RESEARCH

Epigenetic upregulation of CXCL12 expression mediates antitubulin chemotherapeutics–induced neuropathic pain

(2017) Ting Xu et al.   PAIN

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

(2017) Antoine Daina et al.   Scientific Reports

CX3CR1-Mediated Akt1 Activation Contributes to the Paclitaxel-Induced Painful Peripheral Neuropathy in Rats

(2016) Dai Li et al.   NEUROCHEMICAL RESEARCH

Antidepressants and gabapentinoids in neuropathic pain: Mechanistic insights

(2016) Mélanie Kremer et al.   NEUROSCIENCE

Spinal Microgliosis Due to Resident Microglial Proliferation Is Required for Pain Hypersensitivity after Peripheral Nerve Injury

(2016) Nan Gu et al.   Cell Reports

Identification of dual active agents targeting 5-HT1A and SERT by combinatorial virtual screening methods

(2015) Panpan Wang et al.   BIO-MEDICAL MATERIALS AND ENGINEERING

Role of Wnt Inhibitory Factor-1 in Inhibition of Bisdemethoxycurcumin Mediated Epithelial-to-Mesenchymal Transition in Highly Metastatic Lung Cancer 95D Cells

(2015) He-Ping Yang et al.   CHINESE MEDICAL JOURNAL

Engagement of signaling pathways of protease-activated receptor 2 and μ-opioid receptor in bone cancer pain and morphine tolerance

(2015) Yanju Bao et al.   INTERNATIONAL JOURNAL OF CANCER

Turmeric (Curcuma longa) attenuates food allergy symptoms by regulating type 1/type 2 helper T cells (Th1/Th2) balance in a mouse model of food allergy

(2015) Hee Soon Shin et al.   JOURNAL OF ETHNOPHARMACOLOGY

Microglial Janus kinase/signal transduction and activator of transcription 3 pathway activity directly impacts astrocyte and spinal neuron characteristics

(2015) Jenny Molet et al.   JOURNAL OF NEUROCHEMISTRY

mTOR and Erk1/2 Signaling in the Cerebrospinal Fluid-Contacting Nucleus is Involved in Neuropathic Pain

(2015) Guangling Li et al.   NEUROCHEMICAL RESEARCH

mTOR Kinase: A Possible Pharmacological Target in the Management of Chronic Pain

(2015) Lucia Lisi et al.   Biomed Research International

NRG1-ErbB signalling promotes microglia activation contributing to incision-induced mechanical allodynia

(2014) Y. Xiang et al.   EUROPEAN JOURNAL OF PAIN

The Chemistry of Curcumin: From Extraction to Therapeutic Agent

(2014) Kavirayani Priyadarsini   MOLECULES

Combining Machine Learning Systems and Multiple Docking Simulation Packages to Improve Docking Prediction Reliability for Network Pharmacology

(2014) Kun-Yi Hsin et al.   PLoS One

Curcumin, demethoxycurcumin and bisdemethoxycurcumin differentially inhibit morphine's rewarding effect in rats

(2014) Vicky Katsidoni et al.   PSYCHOPHARMACOLOGY

Cellular and molecular mechanisms in the hypoxic tissue: role of HIF-1 and ROS

(2013) Andrea B. Zepeda et al.   CELL BIOCHEMISTRY AND FUNCTION

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Glycogen synthase kinase-3 regulates inflammatory tolerance in astrocytes

(2010) E. Beurel et al.   NEUROSCIENCE

APP overexpression prevents neuropathic pain and motoneuron death after peripheral nerve injury in mice

(2009) Katarzyna Kotulska et al.   BRAIN RESEARCH BULLETIN

Expression of p-Akt in Sensory Neurons and Spinal Cord after Peripheral Nerve Injury

(2009) Tie-Jun Sten Shi et al.   NEUROSIGNALS