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Type II fatty acid synthesis (FAS II) pathway has been recently reported as an attractive targeting for their efficacy against infections caused by multi-resistant Gram-positive and Gram-negative bacteria. Among the rela...

Materias / palabras clave: docking, molecular docking, medicinal chemistry, bioinformatics, chemoinformatics, pharmaceutical sciences; Medicine: Pharmacy and materia medica; Science: Chemistry

Abstract Background Lavandula stoechas L., commonly known as lavender, has been traditionally used in various therapeutic applications, including as a smoking cessation aid. The aim of this study was to investigate the a...

This research aimed to explore the callogenesis, characterization, and antioxidant potential of Acacia nilotica callus and seed silver nanoparticles. The callus induction was accomplished using plant growth hormones. The...

Abstract Given the multifactorial nature of diabetes and limitations of conventional monotherapies, combination therapies involving natural bioactive compounds offer a complementary strategy for more effective management...

Computational modeling of protein-protein interactions (PPIs) is a high priority because it is essential for understanding nearly all cellular functions and for addressing the limitations of time-consuming experimental m...

Abstract Chronic wounds represent a longstanding clinical problem due to impaired angiogenesis due to insufficient activation of vascular endothelial growth factor receptor 2 (VEGFR2). In this investigation, we used comp...

Abstract 2-Mercapto benzimidazole derivatives are well-recognized for their diverse pharmacological activities, including anti-tubercular, antimicrobial, anti-ulcer, analgesic, and anticancer properties. Isoniazid, a fir...

ObjectiveAcute myeloid leukemia (AML) has seen a significant increase in cases recently, often leading to a poor outlook. Dysregulated cell death is a characteristic of AML that aids in both the formation and advancement...

IntroductionSustainable management of bioactive-rich byproducts, including pomegranate peels, is crucial to support the rise of environmentally resilient intensive camel farming. The objective of this study was to invest...

Traditional rice varieties are known to exhibit anti-oxidant, anti-inflammatory, anti-diabetic, anti-cancer, and cardioprotective properties due to their nutritional profile and diverse phytochemical composition. The pre...

Leishmaniasis is a public health disease that requires the development of more effective treatments and the identification of novel molecular targets. Since blocking the PI3K/AKT pathway has been successfully studied as ...

Abstract Rhipicephalus (Boophilus) microplus is a leading cause of significant economic losses in the livestock industry, and tick populations have developed multiple forms of resistance to acaricides; therefore, the pot...

BackgroundMyocarditis is an inflammatory cardiomyopathy characterized by high level of inflammatory cell infiltration and progressive cardiac dysfunction. The underlying pathogenesis involves direct pathogen damage and i...

Abstract “Miyamikhri,” a traditionally fermented bamboo shoot consumed by the Dimasa tribe of Assam, was investigated using a multi-omics approach integrating metagenomics, functional prediction, molecular docking, a...

Abstract Three chromophores 5a-c based on the diphenylamine (donor), thiazole (π-core) and acrylonitrile (acceptor) were synthesized and characterized by IR, NMR, MS analyses. The donor–acceptor chromophores 5a-c were...

Abstract The role of Bisphenol A (BPA) in endometrial cancer (EC) remains uncertain. In this study, we integrated toxicological prediction, network toxicology, gene expression profiling, survival analysis, and molecular ...

BackgroundGastric cancer (GC) exhibits marked epidemiological differences between European (EUR) and East Asian (EAS) populations, with significantly higher incidence rates in EAS. Circulating proteins represent promisin...

The outbreak of COVID-19, the disease caused by SARS-CoV-2, continues to affect millions of people around the world. The absence of a globally distributed effective treatment makes the exploration of new mechanisms of ac...

Traditional poppy vinegar is a functional fermented food matrix enriched with diverse biomolecules that may contribute to metabolic health. In this study, the effects of thermosonication on the biomolecular profile, anti...

The incidence of lung cancer in Indonesia by 2020 has reached 34.783 cases. Melinjo contains ursolic acid and polydatin, which can suppress cell proliferation and induce cell apoptosis, respectively. This study aims to d...

Materias / palabras clave: sirtuin 1 activators; organic synthesis; 2, 4-disubstituted 2, 3-dihydro-1, 5-benzodiazepines; molecular docking; high-throughput screening; antidiabetic properties

Previously we established a family of macrocyclic peptide triazoles (cPTs) that inactivate the Env protein complex of HIV-1, and identified the pharmacophore that engages Env’s receptor binding pocket. Here, we examine...