The authors looked at 5-FU resistant HeLa cells and the ability of an herbal extract to show anti-inflammatory properties.
Read More...The anticancer and anti-inflammatory effects of polyherbal drug AS20 on HeLa cells resistant to 5-Fluorouracil
The authors looked at 5-FU resistant HeLa cells and the ability of an herbal extract to show anti-inflammatory properties.
Read More...The effects of algaecides on Spirulina major and non-target organism Daphnia magna
Algal blooms pose a threat to ecosystems, but the methods used to combat these blooms might harm more than just the algae. Halepete, Graham, and Lowe-Schmahl demonstrate negative effects of anti-algae treatments on a cyanobacterium (Spirulina major), and the water fleas (Daphnia magna) that live alongside these cyanobacteria.
Read More...In silico modeling of emodin’s interactions with serine/threonine kinases and chitosan derivatives
Here, through protein-ligand docking, the authors investigated the effect of the interaction of emodin with serine/threonine kinases, a subclass of kinases that is overexpressed in many cancers, which is implicated in phosphorylation cascades. Through molecular dynamics theyfound that emodin forms favorable interactions with chitosan and chitosan PEG (polyethylene glycol) copolymers, which could aid in loading drugs into nanoparticles (NPs) for targeted delivery to cancerous tissue. Both polymers demonstrated reasonable entrapment efficiencies, which encourages experimental exploration of emodin through targeted drug delivery vehicles and their anticancer activity.
Read More...The design of Benzimidazole derivatives to bind to GDP-bound K-RAS for targeted cancer therapy
In this study, the authors looked at a proto-oncogene, KRAS, and searched for molecules that are predicted to be able to bind to the inactive form of KRAS. They found that a modified version of Irbesartan, a derivative of benzimidazole, showed the best binding to inactive KRAS.
Read More...Phospholipase A2 increases the sensitivity of doxorubicin induced cell death in 3D breast cancer cell models
Inefficient penetration of cancer drugs into the interior of the three-dimensional (3D) tumor tissue limits drugs' delivery. The authors hypothesized that the addition of phospholipase A2 (PLA2) would increase the permeability of the drug doxorubicin for efficient drug penetration. They found that 1 mM PLA2 had the highest permeability. Increased efficiency in drug delivery would allow lower concentrations of drugs to be used, minimizing damage to normal cells.
Read More...Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors
With advancements in machine learning a large data scale, high throughput virtual screening has become a more attractive method for screening drug candidates. This study compared the accuracy of molecular descriptors from two cheminformatics Mordred and PaDEL, software libraries, in characterizing the chemo-structural composition of 53 compounds from the non-nucleoside reverse transcriptase inhibitors (NNRTI) class. The classification model built with the filtered set of descriptors from Mordred was superior to the model using PaDEL descriptors. This approach can accelerate the identification of hit compounds and improve the efficiency of the drug discovery pipeline.
Read More...Design and in silico screening of analogs of rilpivirine as novel non-nucleoside reverse transcriptase inhibitors (NNRTIs) for antiretroviral therapy
In this study, the authors use high-throughput virtual screening to design and evaluate a set of non-nucleoside reverse transcriptase inhibitors for binding affinity to the protein reverse transcriptase. These studies have important applications toward HIV therapies.
Read More...Modulation of VEGF and TGF beta in 5-FU induced inflammation in MCF-7 using an herbal formulation
Acquired drug resistance is an increasing challenge in treating cancer with chemotherapy. One mechanism
behind this resistance is the increased inflammation that supports the progression and development of
cancer that arises because of the drug’s presence. Integrative oncology is the field that focuses on including natural products alongside traditional therapy to create a treatment that focuses on holistic patient well-being.
In this study, the authors demonstrate that the use of an herbal formulation, consisting of turmeric and green tea, alongside a traditional chemotherapeutic drug, 5-fluorouracil (FU) significantly decreases the level of cytokines produced in breast cancer cells when compared to the levels produced when exposed solely to the chemo drug. The authors conclude that this combination of treatment, based on the principle of integrative oncology, shows potential for reducing the resistance against treatment conferred through increased inflammation. Consequently, this suggests a prospective way forward in improving the efficacy of cancer treatment.
Novel biaryl imines and amines as potential competitive inhibitors of dihydropteroate synthase
In this study, the authors design a series of new biaryl small molecules to target and block the binding pocket of the enzyme dihydropteroate synthase, which is important for prokaryotic biosynthesis of folic acid and could serve as better antimicrobial compounds.
Read More...DyGS: A Dynamic Gene Searching Algorithm for Cancer Detection
Wang and Gong developed a novel dynamic gene-searching algorithm called Dynamic Gene Search (DyGS) to create a gene panel for each of the 12 cancers with the highest annual incidence and death rate. The 12 gene panels the DyGS algorithm selected used only 3.5% of the original gene mutation pool, while covering every patient sample. About 40% of each gene panel is druggable, which indicates that the DyGS-generated gene panels can be used for early cancer detection as well as therapeutic targets in treatment methods.
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