Natural flavonoids as promising lactate dehydrogenase A inhibitors: Comprehensive in vitro and in silico analysis
Ü Yırtıcı - Archiv der Pharmazie, 2024 - Wiley Online Library
The inhibitory potential of 17 flavonoids on lactate dehydrogenase A (LDHA), a key enzyme
in the downstream process of aerobic glycolysis in cancer cells, is investigated. Fisetin …
in the downstream process of aerobic glycolysis in cancer cells, is investigated. Fisetin …
StackER: a novel SMILES-based stacked approach for the accelerated and efficient discovery of ERα and ERβ antagonists
The role of estrogen receptors (ERs) in breast cancer is of great importance in both clinical
practice and scientific exploration. However, around 15–30% of those affected do not see …
practice and scientific exploration. However, around 15–30% of those affected do not see …
Application of in-silico drug discovery techniques to discover a novel hit for target-specific inhibition of SARS-CoV-2 Mpro's revealed allosteric binding with MAO-B …
Several studies have revealed that SARS-CoV-2 damages brain function and produces
significant neurological disability. The SARS-CoV-2 coronavirus, which causes COVID-19 …
significant neurological disability. The SARS-CoV-2 coronavirus, which causes COVID-19 …
Prediction of ESR1 Network and Molecular Modeling Analysis of Bioactive Molecules from Ficus microcarpa Targeting ER-alpha for Breast Cancer Therapy
Ficus microcarpa L. f. is a common tree found in India, as well as South, Southeast, and East
Asia, and is known locally as Kallichi maram (Tamil). The major phytochemicals from F …
Asia, and is known locally as Kallichi maram (Tamil). The major phytochemicals from F …
Formulate Lornoxicam Bio Adhesive Microspheres Using Different Polymers by Ionotropic Gelation Method and Emulsion Cross Linking Method: An Integrated …
Background Lornoxicam microspheres are promising for targeted, controlled, or extended
drug release, and the incorporation of mucoadhesive properties can significantly enhance …
drug release, and the incorporation of mucoadhesive properties can significantly enhance …
Crystallographic mining driven computer-guided approach to identify the ASK1 inhibitor likely to perturb the catalytic region
M Haider, S Sharma, AK Agrahari… - Journal of …, 2023 - Taylor & Francis
The pathological levels of reactive oxygen species (ROS) and oxidative stress has been
recognized as a critical driver for inflammatory disorders. Apoptosis signal-regulating kinase …
recognized as a critical driver for inflammatory disorders. Apoptosis signal-regulating kinase …
Novel hybrid material H7N2O4P: crystallographic and molecular analysis with insights into its anticancer potential
A Rafik, H Zouihri, K Charles, KA Dahlous, MS Islam… - Chemical Papers, 2024 - Springer
The molecular structure of hydrazinium phosphate (H 2 DP) has been compared to the
optimal structure determined by advanced quantum chemical methods, including DFT and …
optimal structure determined by advanced quantum chemical methods, including DFT and …
[PDF][PDF] Molecular docking and dynamics simulation analysis of PDE5 inhibitor candidates for erectile dysfunction treatment.
OBJECTIVE: Molecular docking studies were conducted to assess the binding affinities of
five potential inhibitor candidates [PDB (Protein Data Bank) ID: 6L6E] against …
five potential inhibitor candidates [PDB (Protein Data Bank) ID: 6L6E] against …
Predicting PKB/Akt Downstream Signaling Blockers Using Machine Learning Models
A Ghosh, MB Uddin - 2023 14th International Conference on …, 2023 - ieeexplore.ieee.org
Cancer is one of the root causes of unusual deaths in the world. To prevent cancer, Protein
Kinase B (PKB) is one of the targets utilized to discover anticancer drugs. The quantitative …
Kinase B (PKB) is one of the targets utilized to discover anticancer drugs. The quantitative …
Computational-Guided Design of Novel Indole-Based Compounds as Potential Anti-Cancer Agents: Integrating 2d-Qsar, Molecular Docking, and Dynamics Simulation …
Tyrosine kinase enzymes that regulate cell proliferation, division, migration, and existence is
called epithelial growth factor receptor (EGFR). Hence makes it the target of choice for any …
called epithelial growth factor receptor (EGFR). Hence makes it the target of choice for any …