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Investigating the possible mechanisms of pirfenidone to be targeted as a promising anti-inflammatory, anti-fibrotic, anti-oxidant, anti-apoptotic, anti-tumor, and/or anti …
Pirfenidone (PFD) is a non-peptide synthetic chemical that inhibits the production of
transforming growth factor-beta 1 (TGF-β1), tumor necrosis factor-alpha (TNF-α), platelet …
transforming growth factor-beta 1 (TGF-β1), tumor necrosis factor-alpha (TNF-α), platelet …
[HTML][HTML] Synthesis of new organoselenium-based succinanilic and maleanilic derivatives and in silico studies as possible SARS-CoV-2 main protease inhibitors
Herein we report the synthesis of organic selenide-based maleanilic and succinanilic acids
in good yields (up to 95%). Their structural identities were elucidated by spectroscopic …
in good yields (up to 95%). Their structural identities were elucidated by spectroscopic …
Ligand-based design on the dog-bone-shaped BIBR1532 pharmacophoric features and synthesis of novel analogues as promising telomerase inhibitors with in vitro …
Telomerase is an outstanding biological target for cancer treatment. BIBR1532 is a non-
nucleoside selective telomerase inhibitor; however, it experiences ineligible …
nucleoside selective telomerase inhibitor; however, it experiences ineligible …
Phenylpyrazolone-1, 2, 3-triazole hybrids as potent antiviral agents with promising SARS-CoV-2 main protease inhibition potential
COVID-19 infection is now considered one of the leading causes of human death. As an
attempt towards the discovery of novel medications for the COVID-19 pandemic, nineteen …
attempt towards the discovery of novel medications for the COVID-19 pandemic, nineteen …
Lead optimization of BIBR1591 to improve its telomerase inhibitory activity: design and synthesis of novel four chemical series with in silico, in vitro, and in vivo …
Herein, modifications to the previously reported BIBR1591 were conducted to obtain
bioisosteric candidates with improved activities. The% inhibition of the newly afforded …
bioisosteric candidates with improved activities. The% inhibition of the newly afforded …
[HTML][HTML] Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies
In this article, 34 anticoagulant drugs were screened in silico against the main protease
(Mpro) of SARS-CoV-2 using molecular docking tools. Idraparinux, fondaparinux …
(Mpro) of SARS-CoV-2 using molecular docking tools. Idraparinux, fondaparinux …
Design and synthesis of novel benzoazoninone derivatives as potential CBSIs and apoptotic inducers: in vitro, in vivo, molecular docking, molecular dynamics, and …
Apparently, tubulin inhibitors binding to the colchicine-binding site (CBS) currently have
outstanding attention for cancer treatment. So, a series of benzo [b] azonin-2-one derivatives …
outstanding attention for cancer treatment. So, a series of benzo [b] azonin-2-one derivatives …
Metformin ameliorates doxorubicin-induced cardiotoxicity targeting HMGB1/TLR4/NLRP3 signaling pathway in mice
Aims Oxidative stress and inflammation have been linked to doxorubicin (DOX)-induced
cardiotoxicity, while the exact molecular processes are currently under investigation. The …
cardiotoxicity, while the exact molecular processes are currently under investigation. The …
Ligand-based design, synthesis, computational insights, and in vitro studies of novel N-(5-Nitrothiazol-2-yl)-carboxamido derivatives as potent inhibitors of SARS …
The global outbreak of the COVID-19 pandemic provokes scientists to make a prompt
development of new effective therapeutic interventions for the battle against SARS-CoV-2. A …
development of new effective therapeutic interventions for the battle against SARS-CoV-2. A …
Synthesis of 1-piperoylpiperidine investigated through spectroscopy, quantum computation, pharmaceutical activity, docking and MD simulation against breast cancer
Piperoylpiperidine (1-PIP) was crystallized as a single unit by a slow evaporation process,
and it was examined using XRD and FT-IR spectroscopy. The centrosymmetric monoclinic …
and it was examined using XRD and FT-IR spectroscopy. The centrosymmetric monoclinic …