Discovery of small molecules through pharmacophore modeling, docking and molecular dynamics simulation against Plasmodium vivax Vivapain-3 (VP-3)
Sign Up to like & getrecommendations! Published in 2018 at "Heliyon"
DOI: 10.1016/j.heliyon.2018.e00612
Abstract: Vivapain-3(VP-3) protein is a family of cysteine rich proteases of malaria parasite is extensively reported to participate in a range of wide cellular processes including survival. VP-3 of plasmodium recognized as an attractive drug target… read more here.
Keywords: discovery small; molecular dynamics; plasmodium; vivapain ... See more keywords
Discovery of Small and Bifunctional Molecules Targeting PD-L1/CD73 for Cancer Dual Immunotherapy.
Sign Up to like & getrecommendations! Published in 2024 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.4c00553
Abstract: In this work, a series of bifunctional PD-L1/CD73 (cluster of differentiation 73) small-molecule inhibitors were designed and synthesized. Among them, CC-5 showed the strongest PD-L1 inhibitory effects with an IC50 of 6 nM and potent… read more here.
Keywords: cd73; discovery small; small bifunctional; bifunctional molecules ... See more keywords
Discovery of Small Molecule Therapeutics for Treatment of Chronic HBV Infection.
Sign Up to like & getrecommendations! Published in 2018 at "ACS infectious diseases"
DOI: 10.1021/acsinfecdis.7b00144
Abstract: The chronic infection of hepatitis B virus (HBV) inflicts 250 million people worldwide representing a major public health threat. A significant subpopulation of patients eventually develop cirrhosis and hepatocellular carcinoma (HCC). Unfortunately, none of the… read more here.
Keywords: discovery small; treatment; infection; hbv ... See more keywords
Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity.
Sign Up to like & getrecommendations! Published in 2022 at "Cell research"
DOI: 10.1038/s41422-022-00651-9
Abstract: The decline of nicotinamide adenine dinucleotide (NAD) occurs in a variety of human pathologies including neurodegeneration. NAD-boosting agents can provide neuroprotective benefits. Here, we report the discovery and development of a class of potent activators… read more here.
Keywords: discovery small; small molecule; phosphoribosyltransferase nampt; activity ... See more keywords
Discovery of small molecules that target a tertiary-structured RNA
Sign Up to like & getrecommendations! Published in 2022 at "Proceedings of the National Academy of Sciences of the United States of America"
DOI: 10.1073/pnas.2213117119
Abstract: Significance There have been increased efforts recently to “drug” RNA using orally bioavailable, low-molecular-weight compounds. This study combines two of the most powerful tools of modern drug discovery, high-throughput screening and structure-based design, to target… read more here.
Keywords: tertiary structured; small molecules; discovery small; structured rna ... See more keywords
Discovery of small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Enzyme Inhibition and Medicinal Chemistry"
DOI: 10.1080/14756366.2022.2070909
Abstract: Malaria is caused by infection with protozoan parasites of the Plasmodium genus, which is part of the phylum Apicomplexa. Most organisms in this phylum contain a relic plastid called the apicoplast. The apicoplast genome is… read more here.
Keywords: small molecule; dna; dna polymerase; discovery small ... See more keywords
In silico discovery of small molecules that inhibit RfaH recruitment to RNA polymerase
Sign Up to like & getrecommendations! Published in 2018 at "Molecular Microbiology"
DOI: 10.1111/mmi.14093
Abstract: RfaH is required for virulence in several Gram‐negative pathogens including Escherichia coli and Klebsiella pneumoniae. Through direct interactions with RNA polymerase (RNAP) and ribosome, RfaH activates the expression of capsule, cell wall and pilus biosynthesis… read more here.
Keywords: discovery small; rfah recruitment; small molecules; rna polymerase ... See more keywords
Fluorescent Ligand-Based Discovery of Small-Molecule Sulfonamide Agonists for GPR120
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2022.816014
Abstract: As a critical member of G protein-coupled receptors (GPCRs), G protein-coupled receptor 120 (GPR120) is a potential target for many physiological diseases, such as type 2 diabetes mellitus, inflammation, and obesity. Considering that small-molecule fluorescent… read more here.
Keywords: small molecule; fluorescent ligand; discovery small; ligand based ... See more keywords
Discovery of a Small Molecule Inhibitor of Human Adenovirus Capable of Preventing Escape from the Endosome
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms22041617
Abstract: Human adenoviruses (HAdVs) display a wide range of tissue tropism and can cause an array of symptoms from mild respiratory illnesses to disseminated and life-threatening infections in immunocompromised individuals. However, no antiviral drug has been… read more here.
Keywords: molecule inhibitor; discovery small; inhibitor; small molecule ... See more keywords
Discovery of a Small Molecule with an Inhibitory Role for RAB11
Sign Up to like & getrecommendations! Published in 2024 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms252313224
Abstract: RAB11, a pivotal RabGTPase, regulates essential cellular processes such as endocytic recycling, exocytosis, and autophagy. The protein was implicated in various human diseases, including cancer, neurodegenerative disorders, viral infections, and podocytopathies. However, a small-molecular inhibitor… read more here.
Keywords: inhibitory role; rab11; rab11 discovery; discovery small ... See more keywords
Strategies and Approaches for Discovery of Small Molecule Disruptors of Biofilm Physiology
Sign Up to like & getrecommendations! Published in 2021 at "Molecules"
DOI: 10.3390/molecules26154582
Abstract: Biofilms, the predominant growth mode of microorganisms, pose a significant risk to human health. The protective biofilm matrix, typically composed of exopolysaccharides, proteins, nucleic acids, and lipids, combined with biofilm-grown bacteria’s heterogenous physiology, leads to… read more here.
Keywords: discovery small; strategies approaches; small molecule; physiology ... See more keywords