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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.

Mainstream cancer treatments, which include radiotherapy and chemotherapeutic drugs, are known to induce oxidative damage to healthy somatic cells due to the liberation of harmful free radicals. In order to avert this, physiological antioxidants must be complemented with external antioxidants. Here the authors performed a preliminary phytochemical screen to identify alkaloids, saponins, flavonoids, polyphenols, and tannins in all parts of the Amaranthus spinosus Linn. plant. This paper describes the preparation of this crude extract and assesses its antioxidant properties for potential use in complementary cancer treatment.

Anti-diabetic drugs like Metformin are known to increase gut permeability, and this has a negative impact on patient health. These authors hypothesized that this can be mitigated using purple sweet potato extract, which is high anthocyanin content, that feeds bacteria metabolism to decrease gut permeability.

In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.

Cardiac autonomic and structural changes may occur in temporal lobe epilepsy patients and contribute to the risk of sudden unexpected death in epilepsy patients. Choi and colleagues reviewed clinical charts to obtain patients’ lifetime seizure count, antiepileptic drug use, and history of heart disease, followed by transthoracic echocardiogram to calculate left ventricle dimensions, ejection fraction, and left ventricle mass. By comparing epilepsy patients to control subjects, they found that epilepsy patients had thinner left ventricle walls and smaller ejection fraction, but with no significant difference in left ventricle mass.

The discussion surrounding self-medication with non-prescription medicines has gained significance in healthcare and public health, particularly given the global increase in consumption of non-prescription drugs. This study aimed to examine the association between the frequency of general practitioner (GP) consultations and the proportion of economic resources spent on OTC medicine.

The global mental health crisis has led to increased substance abuse among youth. Prescription drug abuse causes approximately 115 American deaths daily. Understanding intergenerational transmission of substance abuse is complex due to lengthy human studies and socioeconomic variables. Recent FDA guidelines mandate abuse liability testing for neuro-active drugs but overlook intergenerational transfer. Brown planaria, due to their nervous system development similarities with mammals, offer a novel model.

The authors investigate whether human blood cancers carrying mutations in DNA repair genes possess increased sensitivity to common chemotherapy drugs cisplatin or gemcitabine.

Kadıoğlu and Oğuzalp study the synergistic effects of Metformin and Captopril, two commonly prescribed drugs for type 2 diabetes and hypertension, respectively. Using C. elegans nematodes as a model system, the authors find that the nematodes decreased in average body length when exposed to Metformin or Captopril individually, but grew 11% in body length when both drugs were used together. Because C. elegans body size is regulated in part by the TGF-β signaling pathway, the authors suggest that synergistic effects of these two drugs may be modulating TGF-β activity, a previously uncharacterized phenomenon.

Staphylococcus aureus is a major pathogen in both hospitals and the community and can cause systemic infections such as pneumonia. Multi-drug resistant strains, such as Methicillin-resistant S. aureus (MRSA) are particularly worrisome. In order to reduce the development of bacterial resistance, we hypothesized that two selected traditional Chinese medicines, Shuang-Huang-Lian (SHL) and Lan-Qin, would be effective against S. aureus. The results showed that SHL had a synergistic effect with gentamicin as well as additive effects with penicillin and cefazolin against S. aureus compared with using antibiotics alone.