The Brazilian compound library (BraCoLi) database: a repository of chemical and biological information for drug design.
Sign Up to like & getrecommendations! Published in 2022 at "Molecular diversity"
DOI: 10.1007/s11030-022-10386-9
Abstract: The Brazilian Compound Library (BraCoLi) is a novel open access and manually curated electronic library of compounds developed by Brazilian research groups to support further computer-aided drug design works, available on https://www.farmacia.ufmg.br/qf/downloads/ . Herein, the… read more here.
Keywords: compound library; drug; brazilian compound; drug design ... See more keywords
Development of CXCR4 modulators by virtual HTS of a novel amide-sulfamide compound library.
Sign Up to like & getrecommendations! Published in 2017 at "European journal of medicinal chemistry"
DOI: 10.1016/j.ejmech.2016.11.026
Abstract: CXCR4 plays a crucial role in recruitment of inflammatory cells to inflammation sites at the beginning of the disease process. Modulating CXCR4 functions presents a new avenue for anti-inflammatory strategies. However, using CXCR4 antagonists for… read more here.
Keywords: development cxcr4; compound library; amide sulfamide; cxcr4 ... See more keywords
Screening of antitubercular compound library identifies novel ATP synthase inhibitors of Mycobacterium tuberculosis.
Sign Up to like & getrecommendations! Published in 2018 at "Tuberculosis"
DOI: 10.1016/j.tube.2017.10.008
Abstract: A limited number of anti-tuberculosis drug candidates with novel mode of action have entered clinical trials in recent years. ATP synthase is one such validated drug target which has yielded a drug recently. The aim… read more here.
Keywords: atp synthase; compound library; drug; tuberculosis ... See more keywords
Virtual screening of a natural compound library at orthosteric and allosteric binding sites of the neurotensin receptor
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2018.1552200
Abstract: Abstract Molecular dynamics (MD) simulation using the AMBER force field has been performed on the neurotensin (NT) receptor, a class A type G-protein-coupled receptor in its activated conformation co-crystallized with the non-peptide agonists. For structure-based… read more here.
Keywords: compound library; neurotensin receptor; library orthosteric; compound ... See more keywords
Teratological and Behavioral Screening of the National Toxicology Program 91-Compound Library in Zebrafish (Danio rerio)
Sign Up to like & getrecommendations! Published in 2019 at "Toxicological Sciences"
DOI: 10.1093/toxsci/kfy266
Abstract: To screen the tens of thousands of chemicals for which no toxicity data currently exists, it is necessary to move from in vivo rodent models to alternative models, such as zebrafish. Here, we used dechorionated… read more here.
Keywords: compound library; teratology; toxicology program; national toxicology ... See more keywords
Dephospho-Coenzyme A Kinase Is an Exploitable Drug Target against Plasmodium falciparum: Identification of Selective Inhibitors by High-Throughput Screening of a Large Chemical Compound Library
Sign Up to like & getrecommendations! Published in 2022 at "Antimicrobial Agents and Chemotherapy"
DOI: 10.1128/aac.00420-22
Abstract: Malaria is a mosquito-borne fatal infectious disease that affects humans and is caused by Plasmodium parasites, primarily Plasmodium falciparum. Widespread drug resistance compels us to discover novel compounds and alternative drug discovery targets. ABSTRACT Malaria… read more here.
Keywords: plasmodium falciparum; compound library; drug target; high throughput ... See more keywords
Design and Synthesis of a Compound Library Exploiting 5-Methoxyleoligin as Potential Cholesterol Efflux Promoter
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DOI: 10.3390/molecules25030662
Abstract: 5-Methoxyleoligin and leoligin are natural occurring lignans derived from Edelweiss (Leontopodium nivale ssp. alpinum), displaying potent pro-angiogenic and pro-arteriogenic activity. Cholesterol efflux from macrophages is associated with reverse cholesterol transport which inhibits the development of… read more here.
Keywords: compound library; synthesis; cholesterol; cholesterol efflux ... See more keywords
Screening of a natural compound library identifies emodin, a natural compound from Rheum palmatum Linn that inhibits DPP4
Sign Up to like & getrecommendations! Published in 2017 at "PeerJ"
DOI: 10.7717/peerj.3283
Abstract: Historically, Chinese herbal medicines have been widely used in the treatment of hyperglycemia, but the mechanisms underlying their effectiveness remain largely unknown. Here, we screened a compound library primarily comprised of natural compounds extracted from… read more here.
Keywords: compound library; compound rheum; rheum palmatum; compound ... See more keywords