Combinatorial Chemistry & High Throughput Screening - Volume 25, Issue 12, 2022

The modern pharmaceutical industry is transitioning from traditional methods to advanced technologies like artificial intelligence. In the current scenario, continuous efforts are being made to incorporate computational modeling and simulation in drug discovery, development, design, and optimization. With the advancement in technology and modernization, many pharmaceutical companies are approaching in silico trials t Read More

Background: Hepatocellular carcinoma (HCC) is one of the most common malignant tumors with a dismal prognosis, according to updated statistics. The solute carrier family 17 member 2 (SLC17A2) has not been studied in liver cancer. Therefore, we evaluated the role of SLC17A2 in HCC by bioinformatics analysis. Objective: The objective of the study was to explore the value of SLC17A2 in the prognosis and diagnosis Read More

Background: Ag-TiO2 nanoparticles catalyzed synthesis of 12-aryl-8,9,10,12- tetrahydrobenzo[a]-xanthen-11-ones have been enhanced via a three-component one-pot reaction betweenβ-naphthol, several aldehydes and dimedone in H2O at room temperature. Xanthenes are essential intermediates in chemistry owing to their vast difference in biological activity. Methods: This process offered significant advantages cont Read More

Background: Developing new, efficient, and environment-friendly small molecule fungicides is the key to effectively prevent and control plant pathogenic oomycetes. α/β-Naphthol is an important raw material for drug synthesis. Due to its special structure, α/β-naphthol and its analogs possess significant biological activity. The preparation and anti-oomycete activity of novel sulfonate derivatives based on α/β-naphthol a Read More

Background and Objective: Inflammation is a common disease which can induce many diseases. There are unique advantages of Traditional Chinese Medicine (TCM) to anti-inflammation. Tieguanyin (TGY) is a well-known beverage; the quality is determined by aroma, taste, liquor color, and shape. The volatile compounds produce the flavor of tea, which can be lost with the increase of storage time. TGY has an excellent Read More

Background: Tumorigenesis, metastasis, and treatment response of hepatocellular carcinoma (HCC) are regulated by unfolded protein responses (UPR) signaling pathways, including IRE1a, PERK, and ATF6, but little is known about UPR related genes with HCC prognosis and therapeutic indicators. Objective: We aimed to identify a UPR related prognostic signature (UPRRPS) for HCC and explore the potential effect of the c Read More

Background: The monotropic membrane protein monoamine oxidase B (MAO-B) has been shown to be a crucial drug target for the treatment of neurodegenerative diseases. The design of recent inhibitor therapeutic agents of MAO-B involves conjugation and modification of a chalcone scaffold comprising two aryl or heteroaryl rings connected via a short spacer unit with rotatable bonds. Supported by experimental data, Read More

Background: Cancer stem cells (CSCs) are now being considered as the initial component in the development of pancreatic adenocarcinoma (PAAD). Our aim was to develop a CSCrelated signature to assess the prognosis of PAAD patients for the optimization of treatment. Methods: Differentially expressed genes (DEGs) between pancreatic tumor and normal tissue in the Cancer Genome Atlas (TCGA) were screened Read More

Background: As a vital part of the tumor environment, immune cells affect the progression of tumors, and their composition and role vary in different types of tumors and influence prognosis. These immune cells have the potential to be beneficially targeted for immunotherapy, or, conversely, they may react negatively, even leading to drug resistance. For these reasons, probing into the composition and possible eff Read More

Background: As COVID-19 pandemic continues to affect people’s lives, the government of India gave emergency use approval to the ayurvedic antimalarial drug Ayush-64 in April 2021 to treat asymptomatic COVID-19 positive and mild COVID-19 positive patients. Objective: This study aims to explore the therapeutic potential of Ayush-64 to treat COVID-19 and provide a new approach for repurposing Ayurvedic drugs. Methods: Read More

Background: Patients with mild cognitive impairment (MCI) suffer from a high risk of developing Alzheimer’s disease (AD). Cumulative evidence has demonstrated that the development of AD is a complex process that could be modulated by miRNAs. Here, we aimed to identify miRNAs involved in the pathway, and interrogate their ability to predict prognosis in patients with MCI. Methods: We obtained the miRNA-seq profiles and th Read More

Background and Objective: HuanglianShangqing pill (HLSQ), a well-known traditional Chinese medicine (TCM), has been used to treat fever in China for a long time. Our previous study had demonstrated that a total of 45 prototype components of HLSQ could be absorbed into the plasma of rats after intragastric administration. However, the detailed mechanisms related to the antipyretic effects of HLSQ were still unclear. Method Read More