“…We report the design and synthesis of a series of dipeptide-type inhibitors with novel P3 scaffolds that display potent inhibitory activity against SARS-CoV 3CL(pro). A docking study involving binding between the dipeptidic lead compound 4 and 3CL(pro) suggested the modification of a structurally flexible P3 N-(3-methoxyphenyl)glycine with various rigid P3 moieties in 4. …”
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“…To explore these principles also in hands with augmented capabilities, this paper describes the SoftHand 2 Pro, a second generation of the device with 19 degrees-of-freedom and a second synergistic layer. …”
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“…Numerous drug targets for neutralizing coronavirus infection have been identified, among them is 3-chymotrypsin-like-protease (3CL(pro)), a viral protease responsible for the viral replication is chosen for this study. …”
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“…While there are no effective clinical agents available for EV71 treatment thus far, EV71 3C protease (3C(pro)), a cysteine protease encoded by the virus, has become a promising drug target for discovery of antiviral drugs, given that it plays a crucial role in virus proliferation and interferes with host cell function. …”
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“…The variant peptides exhibit successive structural perturbations in order: parent (most organized) > Ser(B24) >> Pro(A16) > Pro(B15) (least organized). The same order pertains to (a) overall α-helix content as probed by circular dichroism, (b) synthetic yields of corresponding three-disulfide insulin analogs, and (c) ER stress induced in cell culture by corresponding mutant proinsulins. …”
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“…Echocardiography, inflammatory markers (high-sensitivity c-reactive protein (hs-CRP), IL-6, and TNF-α), and natriuretic peptides (N-terminal pro b-type natriuretic peptide (NT-proBNP) and N-terminal pro a-type natriuretic peptide (NT-proANP)) were assessed. …”
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“…These match events were collected using a semi-automatic computerized video tracking system, Amisco Pro(®). A k-means cluster analysis was used to evaluate team quality and then using principal component analysis (PCA) to identify the playing styles between home and away matches according to team quality. …”
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“…Idraparinux, fondaparinux, eptifibatide, heparin, and ticagrelor demonstrated the highest binding affinities towards SARS-CoV-2 M(pro). A molecular dynamics study at 200 ns was also carried out for the most promising anticoagulants to provide insights into the dynamic and thermodynamic properties of promising compounds. …”
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“…From the same cohort of patients we have collected 35 rectal swabs under general anesthesia prior to appendectomy and microbiota analysis was performed by IS-pro, a 16S-23S rDNA–based clinical microbiota profiling technique. …”
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“…MATERIAL AND METHOD: We performed structure-based virtual screening (SBVS) of a library that was built from ChemDiv and PubChem databases against four SARS‐CoV‐2 target proteins: S‐protein (spike), main protease (M(Pro)), RNA-dependent RNA polymerase, and PL(pro). A virtual screening study was performed using PyRx and AutoDock tools. …”
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“…Participants were recruited via the Prolific-Academic (Pro-A) survey panel into two large independent samples of US young adults aged 19–35 years [Sample 1 (test sample), N = 548, 53.5% female, 2.2% gender non-conforming, 68.3% White, recruited before the pandemic; Sample 2 (replication sample), N = 1,198, 56.2% female, 2.3% gender non-conforming, 66.4% White; recruited during the pandemic]. …”
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“…CHIP mutations positively correlated with age, smoking, hypertension and cardiovascular biomarkers including N‐terminal pro‐B‐type natriuretic peptide and mid‐regional pro‐A‐type natriuretic peptide, but the frequency of CHIP was comparable in individuals with incident HF and in control participants (18.4% vs. 17.3%; p = 0.69). …”
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“…One of these hits was the quaternary ammonium compound cetylpyridinium chloride with dual activity (IC(50) = 2.72 ± 0.09 μM for PL(pro) and IC(50) = 7.25 ± 0.15 μM for M(pro)). A second inhibitor of PL(pro) was the selective estrogen receptor modulator raloxifene (IC(50) = 3.28 ± 0.29 μM for PL(pro) and IC(50) = 42.8 ± 6.7 μM for M(pro)). …”
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“…METHODS: In this study, we have investigated the independent and the combined effects of commonly occurring CCND1 (Pro241Pro, A870G) and COMT (Met108/158Val) polymorphisms to breast cancer risk in two independent Caucasian populations from Ontario (1228 breast cancer cases and 719 population controls) and Finland (728 breast cancer cases and 687 population controls). …”
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“…Peptidomimetic α-ketoamides represent prototypical inhibitors of M(pro). A recent attempt at designing a compound with enhanced pharmacokinetic properties has resulted in the synthesis and evaluation of the α-ketoamide 13b analogue. …”
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“…The 2-pyridone scaffold was previously identified as a possible key pharmacophore to inhibit SARS-CoV-2 M(pro). A search for natural, antimicrobial products with the 2-pyridone moiety was undertaken herein, and their calculated potency as inhibitors of SARS-CoV-2 M(pro) was investigated. …”
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“…This marks the enzyme as a good starting receptor to conduct an extensive structure-based virtual screening (SBVS) of ASINEX antiviral library for the purpose of uncovering valuable hits against SARS-CoV-2 M(Pro). A compound hit (BBB_26580140) was stand out in the screening process, as opposed to the control, as a potential inhibitor of SARS-CoV-2 M(Pro) based on a combined approach of SBVS, drug likeness and lead likeness annotations, pharmacokinetics, molecular dynamics (MD) simulations, and end point MM-PBSA binding free energy methods. …”
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“…METHODS: A key step in the development of AMNet was the selection of substance use-specific assessment tools and quality of care performance measures for incorporation into the American Psychiatric Association’s mental health patient registry, PsychPRO. A scoping review and multi-step consensus-based process were used to identify, review and select candidate assessment tools and quality of care performance measures for opioid use disorders (OUD) and substance use disorders (SUD). …”
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“…We aim to evaluate the psychometric properties of ThyPRO, a Thyroid-related Patient Reported Outcome questionnaire, and validate its use in our multi-ethnic Asian patients with Graves’ hyperthyroidism. …”
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“…In the search for potential antiviral drugs that target M(pro), a series of cembranoid diterpenes from the biologically active soft-coral genus Sarcophyton have been examined as SARS-CoV-2 M(pro) inhibitors. …”
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