Virtual Screening of C. Sativa Constituents for the Identification of Selective Ligands for Cannabinoid Receptor 2

Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-Gi Complex Structures

(2020) Tian Hua et al.   CELL

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

A Deep Learning Approach to Antibiotic Discovery

(2020) Jonathan M. Stokes et al.   CELL

CORAL: QSAR models of CB1 cannabinoid receptor inhibitors based on local and global SMILES attributes with the index of ideality of correlation and the correlation contradiction index

(2020) Parvin Kumar et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Selenium Metabolism in Hemp (Cannabis sativa L.)—Potential for Phytoremediation and Biofortification

(2020) Gavin C. Stonehouse et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Antimicrobial and antibiofilm activity of Cannabis sativa L. seeds extract against Staphylococcus aureus and growth effects on probiotic Lactobacillus spp.

(2020) Stefania Frassinetti et al.   LWT-FOOD SCIENCE AND TECHNOLOGY

Isolation, Purification, and Antimicrobial Characterization of Cannabidiolic Acid and Cannabidiol from Cannabis sativa L.

(2020) Laura Daniela Martinenghi et al.   Biomolecules

Crystal Structure of the Human Cannabinoid Receptor CB2

(2019) Xiaoting Li et al.   CELL

Drug-induced diabetes type 2: In silico study involving class B GPCRs

(2019) Dorota Latek et al.   PLoS One

Development of QSAR machine learning-based models to forecast the effect of substances on malignant melanoma cells

(2019) Robert Ancuceanu et al.   Oncology Letters

Potential off-target effects of beta-blockers on gut hormone receptors: In silico study including GUT-DOCK—A web service for small-molecule docking

(2019) Pawel Pasznik et al.   PLoS One

Ultra-large library docking for discovering new chemotypes

(2019) Jiankun Lyu et al.   NATURE

4D-QSAR studies of CB2 cannabinoid receptor inverse agonists: a comparison to 3D-QSAR

(2019) Houpan Zhang et al.   MEDICINAL CHEMISTRY RESEARCH

Cannabis sativa L. extract and cannabidiol inhibit in vitro mediators of skin inflammation and wound injury

(2019) Enrico Sangiovanni et al.   PHYTOTHERAPY RESEARCH

QSPR Modeling of Biopharmaceutical Properties of Hydroxypropyl Methylcellulose (Cellulose Ethers) Tablets Based on Its Degree of Polymerization

(2019) Amit J. Kasabe et al.   AAPS PHARMSCITECH

Cannabidiol attenuates the rewarding effects of cocaine in rats by CB2, 5-TH1A and TRPV1 receptor mechanisms

(2019) Ewa Galaj et al.   NEUROPHARMACOLOGY

Comprehensive ensemble in QSAR prediction for drug discovery

(2019) Sunyoung Kwon et al.   BMC BIOINFORMATICS

Structure of an allosteric modulator bound to the CB1 cannabinoid receptor

(2019) Zhenhua Shao et al.   Nature Chemical Biology

Deep neural network in QSAR studies using deep belief network

(2018) Fahimeh Ghasemi et al.   APPLIED SOFT COMPUTING

Secondary metabolites isolated from Pinus roxburghii and interpretation of their cannabinoid and opioid binding properties by virtual screening and in vitro studies

(2018) Rola M. Labib et al.   SAUDI PHARMACEUTICAL JOURNAL

Mordred: a molecular descriptor calculator

(2018) Hirotomo Moriwaki et al.   Journal of Cheminformatics

Discovery of High-Affinity Cannabinoid Receptors Ligands through a 3D-QSAR Ushered by Scaffold-Hopping Analysis

(2018) Giuseppe Floresta et al.   MOLECULES

CMAUP: a database of collective molecular activities of useful plants

(2018) Xian Zeng et al.   NUCLEIC ACIDS RESEARCH

Combined CoMFA and CoMSIA 3D-QSAR study of benzimidazole and benzothiophene derivatives with selective affinity for the CB2 cannabinoid receptor

(2017) Javier Romero-Parra et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Crystal structures of agonist-bound human cannabinoid receptor CB1

(2017) Tian Hua et al.   NATURE

Cannabidiol in medical marijuana: Research vistas and potential opportunities

(2017) Carola Rong et al.   PHARMACOLOGICAL RESEARCH

Quantitative structure-retention relationship model for the determination of naratriptan hydrochloride and its impurities based on artificial neural networks coupled with genetic algorithm

(2017) Mikołaj Mizera et al.   TALANTA

Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation

(2016) Denis Fourches et al.   Journal of Chemical Information and Modeling

Hydrophobic Ligand Entry and Exit Pathways of the CB1 Cannabinoid Receptor

(2016) Jakub Jakowiecki et al.   Journal of Chemical Information and Modeling

Evolution of the Cannabinoid and Terpene Content during the Growth of Cannabis sativa Plants from Different Chemotypes

(2016) Oier Aizpurua-Olaizola et al.   JOURNAL OF NATURAL PRODUCTS

Molecular modeling studies to characterize N-phenylpyrimidin-2-amine selectivity for CDK2 and CDK4 through 3D-QSAR and molecular dynamics simulations

(2016) Tahir Ali Chohan et al.   Molecular BioSystems

Synthetic cannabinoids: In silico prediction of the cannabinoid receptor 1 affinity by a quantitative structure-activity relationship model

(2016) Alexander Paulke et al.   TOXICOLOGY LETTERS

Cannabis sativa: The Plant of the Thousand and One Molecules

(2016) Christelle M. Andre et al.   Frontiers in Plant Science

Cannabis

(2015) Michelle Grayson   NATURE

Prediction of HPLC retention times of tebipenem pivoxyl and its degradation products in solid state by applying adaptive artificial neural network with recursive features elimination

(2015) Mikołaj Mizera et al.   TALANTA

Cannabidiol: Pharmacology and potential therapeutic role in epilepsy and other neuropsychiatric disorders

(2014) Orrin Devinsky et al.   EPILEPSIA

Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

(2012) Michael M. Mysinger et al.   JOURNAL OF MEDICINAL CHEMISTRY

Modeling of ligand binding to G protein coupled receptors: cannabinoid CB1, CB2 and adrenergic β2AR

(2011) Dorota Latek et al.   JOURNAL OF MOLECULAR MODELING

ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

(2010) Denis Fourches et al.   Journal of Chemical Information and Modeling

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

Tessaric acid derivatives induce G2/M cell cycle arrest in human solid tumor cell lines

(2009) Leticia G. León et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Cannabinoid receptors 1 and 2 (CB1 and CB2), their distribution, ligands and functional involvement in nervous system structures — A short review

(2008) I SVIZENSKA et al.   PHARMACOLOGY BIOCHEMISTRY AND BEHAVIOR