An outlook of docking analysis and structure-activity relationship of pyrimidine-based analogues as EGFR inhibitors against non-small cell lung cancer (NSCLC)
Almost 80% of lung cancer diagnoses each year correspond to non-small cell lung cancer
(NSCLC). The percentage of NSCLC with EGFR overexpression ranges from 40% to 89 …
(NSCLC). The percentage of NSCLC with EGFR overexpression ranges from 40% to 89 …
Challenges to antimicrobial stewardship in the countries of the Arab League: concerns of worsening resistance during the COVID-19 pandemic and proposed …
NA Rizk, R Moghnieh, N Haddad, MC Rebeiz… - Antibiotics, 2021 - mdpi.com
The COVID-19 pandemic is expected to worsen the global problem of antimicrobial
resistance (AMR). There is a heightened interest in understanding this effect and to develop …
resistance (AMR). There is a heightened interest in understanding this effect and to develop …
[HTML][HTML] Molecular modeling and DFT studies of diazenylphenyl derivatives as a potential HBV and HCV antiviral agents
The need for novel antiviral drug particularly for hepatitis B (HBV) and C (HCV) virus cannot
be over emphasized hence, this work focuses on the stability and intermolecular interaction …
be over emphasized hence, this work focuses on the stability and intermolecular interaction …
Structure based virtual screening and molecular simulation study of FDA-approved drugs to inhibit human HDAC6 and VISTA as dual cancer immunotherapy
Cancer immunotherapy has significantly contributed to the treatment of various types of
cancers mainly by targeting immune checkpoint inhibitors (ICI). Among them, V-domain …
cancers mainly by targeting immune checkpoint inhibitors (ICI). Among them, V-domain …
Pharmacoinformatics and quantum chemicals‐based analysis of aromatic molecule decanal as a potent drug against breast cancer
This study's primary goal is to perform density functional theory and molecular docking
simulation to determine decanal's structural stability and biological activity against proteins …
simulation to determine decanal's structural stability and biological activity against proteins …
Chemical composition, antibacterial activity and antioxidant activity of Citrus bergamia essential oil: Molecular docking simulations
M Noshad, BA Behbahani, Z Nikfarjam - Food bioscience, 2022 - Elsevier
Molecular docking is a simulation method based on bioinformatics, that evaluates the
interaction between molecules (such as essential oil and target proteins), and predicts their …
interaction between molecules (such as essential oil and target proteins), and predicts their …
Reinvigoration of cytotoxic T lymphocytes in microsatellite instability-high colon adenocarcinoma through lysosomal degradation of PD-L1
Compensation and intracellular storage of PD-L1 may compromise the efficacy of antibody
drugs targeting the conformational blockade of PD1/PD-L1 on the cell surface. Alternative …
drugs targeting the conformational blockade of PD1/PD-L1 on the cell surface. Alternative …
Antibacterial potential of trihydroxycyclohexa-2, 4-diene-1-carboxylic acid: Insight from DFT, molecular docking, and molecular dynamic simulation
Abstract In this study,(z)-5-((3-(2, 3-dihydroxyphenyl) acryloyl) oxy)-1, 3, 4-
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …
Design, synthesis, spectroscopic characterization, single crystal X-ray analysis, in vitro α-amylase inhibition assay, DPPH free radical evaluation and computational …
In our quest to design and develop N/O-containing inhibitors of α-amylase, we have tried to
synergize the inhibitory action of 1, 4-naphthoquinone, imidazole and 1, 2, 3-triazole motifs …
synergize the inhibitory action of 1, 4-naphthoquinone, imidazole and 1, 2, 3-triazole motifs …
Emergence of Meropenem Resistance Among Cefotaxime Non-susceptible Streptococcus pneumoniae: Evidence and Challenges
The principal causative agent of acute bacterial meningitis (ABM) in children and the elderly
is Streptococcus pneumoniae, with a widespread increase in penicillin resistance …
is Streptococcus pneumoniae, with a widespread increase in penicillin resistance …