Virtual screening using docking and molecular dynamics of cannabinoid analogs against CB1 and CB2 receptors

ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties

(2021) Guoli Xiong et al.   NUCLEIC ACIDS RESEARCH

Cryo-EM Structure of the Human Cannabinoid Receptor CB2-Gi Signaling Complex

(2020) Changrui Xing et al.   CELL

Prediction of the Binding Affinities and Selectivity for CB1 and CB2 Ligands Using Homology Modeling, Molecular Docking, Molecular Dynamics Simulations, and MM-PBSA Binding Free Energy Calculations

(2020) Beihong Ji et al.   ACS Chemical Neuroscience

The anti-inflammatory and analgesic effects of formulated full-spectrum cannabis extract in the treatment of neuropathic pain associated with multiple sclerosis

(2020) Zaid H. Maayah et al.   INFLAMMATION RESEARCH

Crystal Structure of the Human Cannabinoid Receptor CB2

(2019) Xiaoting Li et al.   CELL

Use of Cannabidiol in the Treatment of Epilepsy: Efficacy and Security in Clinical Trials

(2019) Serena Silvestro et al.   MOLECULES

A marijuana-drug interaction primer: Precipitants, pharmacology, and pharmacokinetics

(2019) Emily J. Cox et al.   PHARMACOLOGY & THERAPEUTICS

Cannabidiol binding and negative allosteric modulation at the cannabinoid type 1 receptor in the presence of delta-9-tetrahydrocannabinol: An In Silico study

(2019) Hery Chung et al.   PLoS One

Effect of 4-HNE Modification on ZU5-ANK Domain and the Formation of Their Complex with β-Spectrin: A Molecular Dynamics Simulation Study

(2019) Antistio Alviz-Amador et al.   Journal of Chemical Information and Modeling

The Pharmacokinetics and the Pharmacodynamics of Cannabinoids

(2018) C.J. Lucas et al.   BRITISH JOURNAL OF CLINICAL PHARMACOLOGY

Allosteric and orthosteric pharmacology of cannabidiol and cannabidiol-dimethylheptyl at the type 1 and type 2 cannabinoid receptors

(2018) Mylyne Tham et al.   BRITISH JOURNAL OF PHARMACOLOGY

Anti-inflammatory Properties of Cannabidiol, a Nonpsychotropic Cannabinoid, in Experimental Allergic Contact Dermatitis

(2018) Stefania Petrosino et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

Role of Cannabinoids in Obesity

(2018) Francesca Rossi et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Exploring the Ligand Efficacy of Cannabinoid Receptor 1 (CB1) using Molecular Dynamics Simulations

(2018) Sang Won Jung et al.   Scientific Reports

4-HNE carbonylation induces local conformational changes on bovine serum albumin and thioredoxin. A molecular dynamics study

(2018) Antistio Alviz-Amador et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Cannabidiol: State of the art and new challenges for therapeutic applications

(2017) Simona Pisanti et al.   PHARMACOLOGY & THERAPEUTICS

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

(2017) Antoine Daina et al.   Scientific Reports

Crystal Structure of the Human Cannabinoid Receptor CB 1

(2016) Tian Hua et al.   CELL

The Utility of Cannabidiol in the Treatment of Refractory Epilepsy

(2016) DS Reddy   CLINICAL PHARMACOLOGY & THERAPEUTICS

Endocannabinoid system: Role in depression, reward and pain control (Review)

(2016) Wen-Juan Huang et al.   Molecular Medicine Reports

High-resolution crystal structure of the human CB1 cannabinoid receptor

(2016) Zhenhua Shao et al.   NATURE

Cannabidiol, neuroprotection and neuropsychiatric disorders

(2016) Alline C. Campos et al.   PHARMACOLOGICAL RESEARCH

Cannabidiol (CBD) and its analogs: a review of their effects on inflammation

(2015) Sumner Burstein   BIOORGANIC & MEDICINAL CHEMISTRY

Parental reporting of response to oral cannabis extracts for treatment of refractory epilepsy

(2015) Craig A. Press et al.   EPILEPSY & BEHAVIOR

pROC-Chemotype Plots Enhance the Interpretability of Benchmarking Results in Structure-Based Virtual Screening

(2015) Tamer M. Ibrahim et al.   Journal of Chemical Information and Modeling

Cannabis (Medical Marijuana) Treatment for Motor and Non–Motor Symptoms of Parkinson Disease

(2014) Itay Lotan et al.   CLINICAL NEUROPHARMACOLOGY

Evaluation of Enhanced Sampling Provided by Accelerated Molecular Dynamics with Hamiltonian Replica Exchange Methods

(2014) Daniel R. Roe et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effects of histidine protonation and rotameric states on virtual screening of M. tuberculosis RmlC

(2013) Meekyum Olivia Kim et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

How Kinetics within the Unfolded State Affects Protein Folding: An Analysis Based on Markov State Models and an Ultra-Long MD Trajectory

(2013) Nan-jie Deng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Cannabidiol for the treatment ofcannabiswithdrawal syndrome: a case report

(2012) J. A. S. Crippa et al.   JOURNAL OF CLINICAL PHARMACY AND THERAPEUTICS

Identification of Essential Cannabinoid-binding Domains

(2011) Joong-Youn Shim et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction

(2011) Alexey Lagunin et al.   Molecular Informatics

Open Babel: An open chemical toolbox

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

Understanding Functional Residues of the Cannabinoid CB1 Receptor for Drug Discovery

(2010) Joong-Youn Shim   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Cannabidiol for the treatment of psychosis in Parkinson’s disease

(2008) AW Zuardi et al.   JOURNAL OF PSYCHOPHARMACOLOGY

The diverse CB1and CB2receptor pharmacology of three plant cannabinoids: Δ9-tetrahydrocannabinol, cannabidiol and Δ9-tetrahydrocannabivarin

(2007) R G Pertwee   BRITISH JOURNAL OF PHARMACOLOGY