Ligand-based G Protein Coupled Receptor pharmacophore modeling: Assessing the role of ligand function in model development

Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review

(2021) Victor T. Sabe et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Virtual Screening of Natural Products against Type II Transmembrane Serine Protease (TMPRSS2), the Priming Agent of Coronavirus 2 (SARS-CoV-2)

(2020) Noor Rahman et al.   MOLECULES

A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directions

(2020) Tamer N. Jarada et al.   Journal of Cheminformatics

The In Silico Drug Discovery Toolbox: Applications in Lead Discovery and Optimization

(2019) Agostino Bruno et al.   CURRENT MEDICINAL CHEMISTRY

Virtual Screening Techniques in Drug Discovery: Review and Recent Applications

(2019) Sheisi Fonseca Leite da Silva Rocha et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Synthesis, antimicrobial activity, pharmacophore modeling and molecular docking studies of new pyrazole-dimedone hybrid architectures

(2018) Assem Barakat et al.   Chemistry Central Journal

Protein structure-based drug design: from docking to molecular dynamics

(2018) Paweł Śledź et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

G Protein-Coupled Receptors as Targets for Approved Drugs: How Many Targets and How Many Drugs?

(2018) Krishna Sriram et al.   MOLECULAR PHARMACOLOGY

Structure-Based Drug Design Strategies and Challenges

(2018) Xin Wang et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Computational chemistry in drug lead discovery and design

(2018) Claudio N. Cavasotto et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Receptor pharmacophore ensemble (REPHARMBLE): a probabilistic pharmacophore modeling approach using multiple protein-ligand complexes

(2018) Sivakumar Prasanth Kumar   JOURNAL OF MOLECULAR MODELING

Structural insights into the subtype-selective antagonist binding to the M2 muscarinic receptor

(2018) Ryoji Suno et al.   Nature Chemical Biology

Trends in GPCR drug discovery: new agents, targets and indications

(2017) Alexander S. Hauser et al.   NATURE REVIEWS DRUG DISCOVERY

The IUPHAR/BPS Guide to PHARMACOLOGY in 2018: updates and expansion to encompass the new guide to IMMUNOPHARMACOLOGY

(2017) Simon D Harding et al.   NUCLEIC ACIDS RESEARCH

Bombesin-like receptor 3 regulates blood pressure and heart rate via a central sympathetic mechanism

(2016) Dalya M. Lateef et al.   AMERICAN JOURNAL OF PHYSIOLOGY-HEART AND CIRCULATORY PHYSIOLOGY

Discovery of the First Environment-Sensitive Near-Infrared (NIR) Fluorogenic Ligand for α1-Adrenergic Receptors Imaging in Vivo

(2016) Zhao Ma et al.   JOURNAL OF MEDICINAL CHEMISTRY

Pharos: Collating protein information to shed light on the druggable genome

(2016) Dac-Trung Nguyen et al.   NUCLEIC ACIDS RESEARCH

The RING 2.0 web server for high quality residue interaction networks

(2016) Damiano Piovesan et al.   NUCLEIC ACIDS RESEARCH

Pharmit: interactive exploration of chemical space

(2016) Jocelyn Sunseri et al.   NUCLEIC ACIDS RESEARCH

Regulating the effects of GPR21, a novel target for type 2 diabetes

(2016) Siobhán Leonard et al.   Scientific Reports

In Silico Design of Human IMPDH Inhibitors Using Pharmacophore Mapping and Molecular Docking Approaches

(2015) Rui-Juan Li et al.   Computational and Mathematical Methods in Medicine

Bombesin receptor subtype 3 as a potential target for obesity and diabetes

(2015) Nieves González et al.   EXPERT OPINION ON THERAPEUTIC TARGETS

ZINC 15 – Ligand Discovery for Everyone

(2015) Teague Sterling et al.   Journal of Chemical Information and Modeling

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

ML-18 is a non-peptide bombesin receptor subtype-3 antagonist which inhibits lung cancer growth

(2015) Terry W. Moody et al.   PEPTIDES

Structure-Based Virtual Screening of the Nociceptin Receptor: Hybrid Docking and Shape-Based Approaches for Improved Hit Identification

(2014) Pankaj R. Daga et al.   Journal of Chemical Information and Modeling

Multi-generational pharmacophore modeling for ligands to the cholane steroid-recognition site in the β1 modulatory subunit of the BKCa channel

(2014) Jacob E. McMillan et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Structure-based pharmacophore modeling and virtual screening to identify novel inhibitors for anthrax lethal factor

(2014) Huang-Sheng Liao et al.   MEDICINAL CHEMISTRY RESEARCH

Ligand-based pharmacophore modeling and Bayesian approaches to identify c-Src inhibitors

(2013) Sugunadevi Sakkiah et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

An efficient multistep ligand-based virtual screening approach for GPR40 agonists

(2013) Sihui Yao et al.   MOLECULAR DIVERSITY

Activation and allosteric modulation of a muscarinic acetylcholine receptor

(2013) Andrew C. Kruse et al.   NATURE

Orphan GPCRs and Neuromodulation

(2012) Olivier Civelli   NEURON

The orphan receptor GPR55 drives skin carcinogenesis and is upregulated in human squamous cell carcinomas

(2012) E Pérez-Gómez et al.   ONCOGENE

Ligand and structure based pharmacophore modeling to facilitate novel histone deacetylase 8 inhibitor design

(2010) Sundarapandian Thangapandian et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Quantitative expression profiling of G-protein-coupled receptors (GPCRs) in metastatic melanoma: the constitutively active orphan GPCR GPR18 as novel drug target

(2010) Y. Qin et al.   Pigment Cell & Melanoma Research

Pharmacophore-Based Virtual Screening

(2008) Hongmao Sun   CURRENT MEDICINAL CHEMISTRY