Inverse pharmacology: Approaches and tools for introducing druggability into engineered proteins
Sign Up to like & getrecommendations! Published in 2019 at "Biotechnology Advances"
DOI: 10.1016/j.biotechadv.2019.107439
Abstract: A major feature of twenty-first century medical research is the development of therapeutic strategies that use ‘biologics’ (large molecules, usually engineered proteins) and living cells instead of, or as well as, the small molecules that… read more here.
Keywords: small molecules; pharmacology; pharmacology approaches; inverse pharmacology ... See more keywords
Protein druggability assessment for natural products using in silico simulation: A case study with estrogen receptor and the flavonoid genistein.
Sign Up to like & getrecommendations! Published in 2021 at "Gene"
DOI: 10.1016/j.gene.2021.145726
Abstract: Traditional herbal medicine (THM) comprises a vast number of natural compounds. Most of them are metabolized into different structures after administration, which makes the clarification of THM's mode of action more complicated. To evaluate the… read more here.
Keywords: natural products; silico simulation; simulation; druggability ... See more keywords
Druggability Simulations and X-Ray Crystallography Reveal a Ligand-Binding Site in the GluA3 AMPA Receptor N-Terminal Domain.
Sign Up to like & getrecommendations! Published in 2019 at "Structure"
DOI: 10.1016/j.str.2018.10.017
Abstract: Ionotropic glutamate receptors (iGluRs) mediate the majority of excitatory neurotransmission in the brain. Their dysfunction is implicated in many neurological disorders, rendering iGluRs potential drug targets. Here, we performed a systematic analysis of the druggability… read more here.
Keywords: binding site; druggability simulations; ligand binding; druggability ... See more keywords
Druggability Assessment in TRAPP Using Machine Learning Approaches
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b01185
Abstract: Accurate protein druggability predictions are important for the selection of drug targets in the early stages of drug discovery. Due to the flexible nature of proteins, the druggability of a binding pocket may vary due… read more here.
Keywords: trapp; binding pocket; trapp using; druggability ... See more keywords
A hybrid structure determination approach to investigate the druggability of the nucleocapsid protein of SARS-CoV-2
Sign Up to like & getrecommendations! Published in 2022 at "Nucleic Acids Research"
DOI: 10.1093/nar/gkad195
Abstract: The ongoing pandemic caused by SARS-CoV-2 has called for concerted efforts to generate new insights into the biology of betacoronaviruses to inform drug screening and development. Here, we establish a workflow to determine the RNA… read more here.
Keywords: nucleocapsid protein; druggability nucleocapsid; protein sars; druggability ... See more keywords
Molecular Modification of Kex2 P1’ Site Enhances Expression and Druggability of Fungal Defensin
Sign Up to like & getrecommendations! Published in 2023 at "Antibiotics"
DOI: 10.3390/antibiotics12040786
Abstract: Pichia pastoris is the widely used expression system for producing recombinant secretory proteins. It is known that Kex2 protease plays a vital role in the process of protein secretion, in which the P1’ site affects… read more here.
Keywords: molecular modification; fungal defensin; druggability; site ... See more keywords
Beyond the Flavour: The Potential Druggability of Chemosensory G Protein-Coupled Receptors
Sign Up to like & getrecommendations! Published in 2019 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms20061402
Abstract: G protein-coupled receptors (GPCRs) belong to the largest class of drug targets. Approximately half of the members of the human GPCR superfamily are chemosensory receptors, including odorant receptors (ORs), trace amine-associated receptors (TAARs), bitter taste… read more here.
Keywords: beyond flavour; protein coupled; coupled receptors; flavour potential ... See more keywords
Discovery of the Cryptic Sites of SARS-CoV-2 Papain-like Protease and Analysis of Its Druggability
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms231911265
Abstract: In late 2019, a new coronavirus (CoV) caused the outbreak of a deadly respiratory disease, resulting in the COVID-19 pandemic. In view of the ongoing pandemic, there is an immediate need to find drugs to… read more here.
Keywords: protease; druggability; discovery cryptic; cov papain ... See more keywords