Combined usage of ligand- and structure-based virtual screening in the artificial intelligence era.

Drug design has always been pursuing techniques with time- and cost-benefits. Virtual screening, generally classified as ligand-based (LBVS) and structure-based (SBVS) approaches, could identify active compounds in the large chemical library to reduce time and cost. Owing to the intrinsic flaws and complementary nature of both approaches, continued efforts have been made to combine them to mitigate limitations.

Multifaceted functions of the Wilms tumor 1 protein: From its expression in various malignancies to targeted therapy.

Wilms tumor 1 (WT1) is a multifaceted protein with dual functions, acting both as a tumor suppressor and as a transcriptional activator of oncogenes. WT1 is highly expressed in various types of solid tumors and leukemia, and its elevated expression is associated with a poor prognosis for patients. High WT1 expression also indicates a greater risk of refractory disease or relapse.

Transcription factor NF-E2-related factor 2 plays a critical role in acute lung injury/acute respiratory distress syndrome (ALI/ARDS) by regulating ferroptosis.

NRF2 is an important transcription factor that regulates redox homeostasis and exerts its anti-oxidative stress and anti-inflammatory response by binding to the ARE to activate and regulate the transcription of downstream protective protein genes, reducing the release of reactive oxygen species. Ferroptosis is a novel iron-dependent, lipid peroxidation-driven cell death mode, and recent studies have shown that ferroptosis is closely associated with acute lung injury/acute respiratory distress syndrome (ALI/ARDS). NRF2 is able to regulate ferroptosis through the regulation of the transcription of its target genes to ameliorate ALI/ARDS.

hPSCs-derived brain organoids for disease modeling, toxicity testing and drug evaluation.

Due to the differences and variances in genetic background, in vitro and animal models cannot meet the modern medical exploration of real human brain structure and function. Recently, brain organoids generated by human pluripotent stem cells (hPSCs) can mimic the structure and physiological function of human brain, being widely used in medical research. Brain organoids generated from normal hPSCs or patient-derived induced pluripotent stem cells offer a more promising approach for the study of diverse human brain diseases.

Direct and indirect effects of estrogens, androgens and intestinal microbiota on colorectal cancer.

Sex differences in colorectal cancer (CRC) has received considerable research attention recently, particularly regarding the influence of sex hormones and the intestinal microbiota. Estrogen, at the genetic and epigenetic levels, directly inhibits CRC cell proliferation by enhancing DNA mismatch repair, regulating miRNAs, blocking the cell cycle, and modulating ion channels. However, estradiol's activation of GPER promotes oncogene expression.

Exosomes and SARS-CoV-2 infection.

Exosomes, which are small extracellular vesicles, are of particular interest in studies on SARS-CoV-2 infection because of their crucial role in intercellular communication. These vesicles are released by several cell types and are rich in "cargo" such as proteins, lipids, and nucleic acids, which are vital for regulating immune response and viral pathogenesis. Exosomes have been reported to be involved in viral transmission, immune escape mechanisms, and illness development in SARS-CoV-2 infection.

Bibliometric Analysis of Curcumin Based on CiteSpace: Landscapes, Hotspots, and Frontiers.

Curcumin, the main active compound in turmeric, has garnered significant interest for its wide range of pharmacological properties. In this study, CiteSpace was used to visually analyze curcumin-related publications to elucidate the current landscape and explore emerging frontiers in curcumin research. In total, 23,184 publications on curcumin from January 1, 2014, to December 31, 2023, were scrutinized.

Targeting the mTOR Pathway in Hepatocellular Carcinoma: The Therapeutic Potential of Natural Products.

Despite advancements in cancer treatment through surgery and drugs, hepatocellular carcinoma (HCC) remains a significant challenge, as reflected by its low survival rates. The mammalian target of rapamycin (mTOR) signaling pathway plays a crucial role in regulating the cell cycle, proliferation, apoptosis, and metabolism. Notably, dysregulation leading to the activation of the mTOR signaling pathway is common in HCC, making it a key focus for in-depth research and a target for current therapeutic strategies.

Air pollution exposure and prevalence of non-alcoholic fatty liver disease and related cirrhosis: A systematic review and meta-analysis.

Background And Objective: A systematic review and meta-analysis were used to investigate the relationship between air pollution exposure and the prevalence of non-alcoholic fatty liver disease (NAFLD) and its related cirrhosis. Through this study, we hope to clarify the potential public health risks of air pollution as an environmental exposure factor.

Methods: Through a comprehensive and systematic search of the EMBASE, PubMed, Web of Science, and Cochrane library databases, studies published up to March 30, 2024, that met the eligibility criteria were identified.

Roles of BMI in mediating the causal effect of obstructive sleep apnea on psoriasis: a two-step mendelian randomization study.

Observational studies have reported an association between obstructive sleep apnea (OSA) and psoriasis. Nonetheless, the presence of a causal relationship within this observed association remains to be confirmed. Consequently, we utilized the Mendelian Randomization (MR) method to assess the causal effects between OSA on psoriasis.

Efficacy and Safety of Topical Application of Plant-Based Products on Skin Aging in Healthy Individuals: A Systematic Review and Meta-Analysis of Randomized Controlled Trials.

Background: Recently, numerous topical products containing plant-based ingredients have been reported to resist skin aging. However, there is a lack of sufficient evidence to substantiate these claims. This paper presents a comprehensive review and meta-analysis to evaluate the efficacy and safety of topical products containing plants or plant extracts in anti-aging.

Extracellular Vesicles From LPS-Treated PDLSCs Induce NLRP3 Inflammasome Activation in Periodontitis.

Objective: This study aimed to investigate the effects of lipopolysaccharide (LPS)-pretreated primary periodontal ligament stem cell (PDLSC)-derived extracellular vesicles (EVs) (L-PDLSC-EVs) on periodontitis.

Materials And Methods: PDLSCs were obtained from mouse periodontal ligaments via enzymatic digestion. An in vitro inflammatory microenvironment for PDLSCs was established using LPS, and L-PDLSC-EVs were isolated through ultracentrifugation and identified.

Emerging trends and hotspots in lung cancer-prediction models research.

Objective: In recent years, lung cancer-prediction models have become popular. However, few bibliometric analyses have been performed in this field.

Methods: This study aimed to reveal the scientific output and trends in lung cancer-prediction models from a global perspective.

Estimating global prevalence of mild cognitive impairment and dementia in elderly with overweight, obesity, and central obesity: A systematic review and meta-analysis.

Background And Aim: Previous studies have demonstrated that adiposity, particularly obesity during midlife, may have a detrimental effect on cognitive function. This study aims to estimate the global prevalence of mild cognitive impairment (MCI) and dementia in elderly aged 60 years or above with overweight, obesity, and central obesity.

Methods: We searched PubMed, Embase, Web of Science, and Cochrane Library from inception to November 2023.

Oral chitosan-cyclodextrin "shell-core" nanoparticles co-loaded Rhein and chlorogenic acid for ulcerative colitis treatment.

The food-derived ingredients Rhein (RH) and chlorogenic acid (CGA) have DEMONSTRATED a potential synergistic effect in the treatment of ulcerative colitis (UC) through their anti-inflammatory and antioxidant properties. However, the oral co-delivery of RH and CGA faces challenges such as differences in hydrophilicity and hydrophobicity, gastrointestinal instability, and inadequate colonic targeting. To address these issues, shell-core nanoparticles were developed for the co-encapsulation of RH and CGA (CP@CGA-FA/TA@RH NPs).

Chitosan-zein-icariin complexes modulate double emulsion phase transitions to potentiate absorption efficiency.

This study developed a chitosan-zein-icariin ternary complex through reversed-phase precipitation to stabilize double emulsions using one-step emulsification method. Results indicated that icariin and chitosan-zein formed spherical microstructures via the rearrangement of hydrogen bonding networks and hydrophobic interactions. All complexes exhibited pale-yellow color and demonstrated single and uniform size distribution.

A comparative analysis of the safety profiles between inclisiran and other PCSK9 inhibitors from real-world evidence - what have we learned recently?

Background: Inclisiran is a novel inhibitor of proprotein convertase subtilisin/kexin type 9 (PCSK9). This study aimed to explore its safety profiles.

Research Design And Methods: Reports from FDA Adverse Event Reporting System were collected and analyzed from January 2021 to September 2023.

Association Between Triglyceride-Glucose Index and Risk of Gallstone Disease: A Prospective Cohort Study of 395 391 Individuals.

Objective: Gallstone disease (GSD) is one of the widespread gastrointestinal conditions. Triglyceride-glucose (TyG) index, a convenient surrogate for insulin resistance, may help identify and prevent gallstones. The present study aims to conduct a longitudinal study to evaluate the association between TyG index and the risk of GSD using the UK Biobank cohort.

Pharmacological and toxicological characteristics of baicalin in preventing spontaneous abortion and recurrent pregnancy loss: A multi-level critical review.

Relevance: Spontaneous abortion (SAB) and recurrent pregnancy loss (RPL) occur alone or concurrently with increasing incidences recently. Scutellaria baicalensis Georgi (SBG) has been used to prevent pregnancy loss for thousands of years, which is recognized as a "pregnancy-stabilizing herb" in ancient China. Baicalin (BA) and its metabolite baicalein (BE) are the main bioactive flavonoids in the root of SBG.