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  1. 20 hours ago · The overall analysis of pharmacokinetic or ADMET properties was performed by using pkCSM online server . The ADMET results suggested that both the identified natural compounds FL_72 and PH_435 are showing acceptable predicted values for each pharmacokinetic property compared to REF; interestingly, in some pharmacokinetic parameters, FL_72 is showing better results than REF (Table S3 ).

  2. 20 hours ago · The search for new molecules targeting SARS-CoV-2 has been a priority since 2020. The continuous evolution of new mutants increases the need for more research in the area. One way to find new leads is to repurpose existing drugs and molecules against the required target. Here, we present the in vitro and in silico screening of ten previously synthesized and reported compounds as anti-COVID 19 agents. The compounds were screened in vitro against VERO-E6 cells to find their Cytotoxic ...

  3. 5 days ago · Breast cancer ranks as a leading cause of mortality, primarily affecting females. With the reported side effects of conventional anticancer drugs, herbal sources have emerged as an effective alternat...

  4. 3 days ago · ISoXD2 are well explored among versatile and outstanding class of pharmacophores for the preparation and discovery of drugs. Herein, the electronic absorption and emission spectra of ISoXD2 were investigated in three different solvents. The observed transition was attributed to π-π* with charge transfer character. Changes in the excited state and shift of the absorption and emission peaks to longer wavelengths are observed as a result of increasing solvent polarity, due to the interactions ...

  5. 4 days ago · SHP2 belongs to a cytoplasmic non-receptor protein tyrosine phosphatase class. It plays a critical role in the development of various cancers, such as gastric cancer, leukemia, and breast cancer. Thus, SHP2 has gained the interest of researchers as a potential target for inhibiting tumor cell proliferation in SHP2-dependent cancers. This study employed pharmacophore-based virtual screening, molecular docking, molecular dynamic (MD) simulations, MM/PBSA, and principal component analysis (PCA ...

  6. 1 day ago · The PLUS OpenVein Toolkit (current version is: 1.0.2) is a feature extraction and matching/evaluation framework for finger- and hand- vein recognition implemented in MATLAB. It was tested on MATLAB 2016 and should work with all version of MATLAB newer or equal to 2016.

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  8. 1 day ago · Online learning students and faculty have real-time access to online library classes or one-on-one Book a Librarian appointments with all librarians. The library provides access to digital journals, databases, and web resources to support the education of all SAC students.

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