Three new inhibitors of class A β-lactamases evaluated by molecular docking and dynamics simulations methods: relebactam, enmetazobactam, and QPX7728
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-022-05073-3
Abstract: Antibiotic-resistant Acinetobacter baumannii, Pseudomonas aeruginosa, Mycobacterium tuberculosis, Staphylococcus aureus, and Enterobacterales infections are serious global health problems, and class A β-lactamases are one mechanism that leads to antibiotic resistance. QPX7728, relebactam, and enmetazobactam are new… read more here.
Keywords: class lactamases; molecular docking; new inhibitors; three new ... See more keywords
Valuation of New Inhibitors Detection Method
Sign Up to like & getrecommendations! Published in 2018 at "Waste and Biomass Valorization"
DOI: 10.1007/s12649-017-9867-3
Abstract: Phytomass processing is hindered by a complex matrix of lignin and cellulose that is synthesized by plants as part of their natural defense against predators. Inspired by ruminants, bacteria, or fungi, many methods to overcome… read more here.
Keywords: detection method; processing; inhibitors detection; new inhibitors ... See more keywords
Development of New Inhibitors of HDAC1-3 Enzymes Aided by In Silico Design Strategies
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.1c01557
Abstract: Histone deacetylases (HDACs) are overexpressed in cancer, and their inhibition shows promising results in cancer therapy. In particular, selective class I HDAC inhibitors such as entinostat are proposed to be more beneficial in breast cancer… read more here.
Keywords: development new; hdac inhibitors; hdac1 enzymes; design ... See more keywords
Identification of new inhibitors against human Great wall kinase using in silico approaches
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DOI: 10.1038/s41598-018-23246-0
Abstract: Microtubule associated serine/threonine kinase (MASTL) is an important Ser/Thr kinase belonging to the family of AGC kinases. It is the human orthologue of Greatwall kinase (Gwl) that plays a significant role in mitotic progression and… read more here.
Keywords: identification new; human great; kinase; inhibitors human ... See more keywords
Identification of new inhibitors of NS5 from dengue virus using saturation transfer difference (STD-NMR) and molecular docking studies
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DOI: 10.1039/d2ra04836a
Abstract: The rapid spread of dengue virus has now emerged as a major health problem worldwide, particularly in tropical and sub-tropical regions. Nearly half of the human population is at risk of getting infection. Among the… read more here.
Keywords: molecular docking; identification new; new inhibitors; dengue virus ... See more keywords
New Inhibitors in the Ageing Population: A retrospective, observational, cohort study of new inhibitors in older people with haemophilia.
Sign Up to like & getrecommendations! Published in 2021 at "Thrombosis and haemostasis"
DOI: 10.1055/a-1642-4067
Abstract: INTRODUCTION A second peak of inhibitors has been reported in patients with severe haemophilia A (HA) aged >50 years in the UK.1 The reason for this suggested breakdown of tolerance in the ageing population is… read more here.
Keywords: retrospective observational; patients severe; aged years; age ... See more keywords
Tripeptides conjugated with thiosemicarbazones: new inhibitors of tyrosinase for cosmeceutical use
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Enzyme Inhibition and Medicinal Chemistry"
DOI: 10.1080/14756366.2023.2193676
Abstract: Abstract The development of skin-care products is recently growing. Cosmetic formulas containing active ingredients with proven efficacy, namely cosmeceuticals, are based on various compounds, including peptides. Different whitening agents featuring anti-tyrosinase activity have been applied… read more here.
Keywords: inhibitors tyrosinase; thiosemicarbazones new; conjugated thiosemicarbazones; new inhibitors ... See more keywords
New Inhibitors of the Human p300/CBP Acetyltransferase Are Selectively Active against the Arabidopsis HAC Proteins
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms231810446
Abstract: Histone acetyltransferases (HATs) are involved in the epigenetic positive control of gene expression in eukaryotes. CREB-binding proteins (CBP)/p300, a subfamily of highly conserved HATs, have been shown to function as acetylases on both histones and… read more here.
Keywords: inhibitors human; human p300; hac; p300 cbp ... See more keywords
Identification and Empiric Evaluation of New Inhibitors of the Multidrug Transporter P-Glycoprotein (ABCB1)
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DOI: 10.3390/ijms24065298
Abstract: The expression of the drug efflux pump ABCB1 correlates negatively with cancer survival, making the transporter an attractive target for therapeutic inhibition. In order to identify new inhibitors of ABCB1, we have exploited the cryo-EM… read more here.
Keywords: inhibitors multidrug; identification empiric; evaluation new; identification ... See more keywords
Trypanosoma cruzi Sirtuin 2 as a Relevant Druggable Target: New Inhibitors Developed by Computer-Aided Drug Design
Sign Up to like & getrecommendations! Published in 2023 at "Pharmaceuticals"
DOI: 10.3390/ph16030428
Abstract: Trypanosoma cruzi, the etiological agent of Chagas disease, relies on finely coordinated epigenetic regulation during the transition between hosts. Herein we targeted the silent information regulator 2 (Sir2) enzyme, a NAD+-dependent class III histone deacetylase,… read more here.
Keywords: relevant druggable; sirtuin relevant; trypanosoma cruzi; new inhibitors ... See more keywords