Regioselective synthesis of 3,4-diarylpyrimido[1,2-]indazole derivatives enabled by iron-catalyzed ring-opening of styrene oxides.

The first synthesis of 3,4-diarylpyrimido[1,2-]indazole derivatives from 3-aminoindazoles has been realized. The FeCl-catalyzed intermolecular epoxide ring-opening reaction altered the order of annulation, with the free primary NH groups in 3-aminoindazoles preferentially reacting with styrene oxides instead of aromatic aldehydes. This protocol is further highlighted by its broad substrate compatibility, high chemo- and regioselectivities, and the late-stage modifications of bioactive molecules.

An activatable near-infrared fluorescent probe with large Stokes shift for visualizing peroxynitrite in Alzheimer's disease models.

Alzheimer's disease (AD), characterized by its incurable nature and prevalence among the elderly, has remained a focal point in medical research. Increasing evidence suggests that peroxynitrite (ONOO) serves as a crucial biomarker for the diagnosis of AD. In this study, we present a novel, easily available, high-yield, and cost-effective near-infrared (NIR) fluorescent probe, CDCI-ONOO.

[Treatment of chronic prostatitis with Xiongji Formula based on the concept of "brain-heart-kidney-essence chamber" axis of medication].

Chronic prostatitis is a process of kidney deficiency and blood stasis mixed with various pathological factors involving the essence chamber, which is manifested as kidney deficiency and blood stasis. Based on the concept of the "brain-heart-kidney-essence chamber" axis of medication, Xiongji Formula is applied to the treatment of chronic prostatitis, due to its "simultaneous holistic and local action" and effects of tonifying the kidney yang and assisting the systemic yang, acting on the brain, heart and kidney as a whole, and meanwhile activating blood circulation, eliminating blood stasis and restoring the function of the essence chamber. This paper discusses the etiology and pathogenesis of chronic prostatitis with kidney deficiency and blood stasis in Chinese medicine, expounds the significance of "brain-heart-kidney-essence chamber" axis of medication, and explores the specific value and clinical application of Xiongji Formula.

Mechanisms and Efficacy of Chinese Herbal Medicines in Benign Prostatic Hyperplasia.

Benign prostatic hyperplasia (BPH) is one of the most common diseases in elderly men, the incidence of which gradually increases with age and leads to lower urinary tract symptoms (LUTS), which seriously affects the quality of life of patients. Chinese herbal medicines (CHMs) are widely used for the treatment of BPH in China and some other countries. To explore the molecular mechanisms of CHMs for BPH, we conducted a review based on peer-reviewed English-language publications in PubMed and Web of Science databases from inception to December 31, 2023.

Distinct Characteristic Binding Modes of Benzofuran Core Inhibitors to Diverse Genotypes of Hepatitis C Virus NS5B Polymerase: A Molecular Simulation Study.

The benzofuran core inhibitors , , , compound , and compound exhibit good pan-genotypic activity against various genotypes of NS5B polymerase. To elucidate their mechanism of action, multiple molecular simulation methods were used to investigate the complex systems of these inhibitors binding to GT, , , and NS5B polymerases. The calculation results indicated that these five inhibitors can not only interact with the residues in the palm II subdomain of NS5B polymerase, but also with the residues in the palm I subdomain or the palm I/III overlap region.

Unraveling the Binding Mode of Cyclic Adenosine-Inosine Monophosphate (cAIMP) to STING through Molecular Dynamics Simulations.

The stimulator of interferon genes (STING) plays a significant role in immune defense and protection against tumor proliferation. Many cyclic dinucleotide (CDN) analogues have been reported to regulate its activity, but the dynamic process involved when the ligands activate STING remains unclear. In this work, all-atom molecular dynamics simulations were performed to explore the binding mode between human STING (hSTING) and four cyclic adenosine-inosine monophosphate analogs (cAIMPs), as well as 2',3'-cGMP-AMP (2',3'-cGAMP).

[Discussion on the biological basis of chronic prostatitis based on the "brain-centre-kidney-vessel" axis].

Chronic prostatitis is a common disease in male clinics. The theory of "brain-centre-kidney-vessel" axisis based on the basic theories of traditional Chinese medicine, the pathogenesis of modern men's diseases, and the theory of traditional Chinese medicine in men's medicine proposed by clinical practice. It takes the "brain-heart-kidney-vessel" axis as the entry point, the use of the vessel as the core pathogenesis, the meridians as the link, and the dysfunction of the brain, heart, and kidneys as the important conditions, and proposes that the biological basis between chronic prostatitis and the "brain-heart-kidney-vessel" axis is related to neurological, endocrine, and immunological disorders, as well as the biological basis of the "brain-heart-kidney-vessel" axis.

Construction of an Angular Tricyclic Benzofuran Skeleton Using the C-H Activation Strategy.

A protocol for the construction of an angular tricyclic benzofuran skeleton based on the C-H activation strategy has been established. Different phthalide lactones on this skeleton can be easily assembled with various side chains by using C-H activation with aldehydes and subsequent reduction. This skeleton provides a versatile and crucial motif for the total synthesis of naturally occurring angular tricyclic benzofurans and their derivatives.

A strategy for the preparation of super-hydrophilic molybdenum disulfide composites applied to remove uranium from wastewater.

Due to the radioactivity of uranium, the discharged nuclear wastewater not only causes certain damage to the ecology, but also causes certain harm to human life and health. Adsorption is considered to be one of the most effective ways to remove uranium. In this paper, a kind of MoS adsorbent was prepared by the solid phase synthesis method and functionalized with NiCo-LDH.

Lysine-Specific Demethylase 1 Inhibitors: A Comprehensive Review Utilizing Computer-Aided Drug Design Technologies.

Lysine-specific demethylase 1 (LSD1/KDM1A) has emerged as a promising therapeutic target for treating various cancers (such as breast cancer, liver cancer, etc.) and other diseases (blood diseases, cardiovascular diseases, etc.), owing to its observed overexpression, thereby presenting significant opportunities in drug development.

Regioselective synthesis of indazolo[2,3-]quinazolines enabled by I/S-facilitated annulation relay dehydrogenative aromatization of cyclohexanones.

A method for concise and efficient synthesis of indazolo[2,3-]quinazolines has been developed a sequential annulation of 3-aminoindazoles and dehydrogenative aromatization of cyclohexanones. This high regioselectivity is attributed to the fact that the Mannich reaction is superior to the aldol reaction in this system. It is worth mentioning that this convenient process is successfully extended to 3-aminopyrazoles for assembling another class of medicinally prevalent pyrazolo[1,5-]quinazolines.

[Biological basis of oligoasthenospermia based on the theory of "kidney governing reproduction"].

Guided by the theory of "kidney governing reproduction", ancient and present-day physicians treat male infertility mainly by tonifying the kidneys, with some innovation and development based on inheritance. Relating oligoasthenospermia (OAS), the author emphasizes "the kidney as the base and the essence chamber for use", and proposes "the deficiency of kidney essence and disability of the essence chamber" as the core pathogenesis of the disease. Kidney essence deficiency is the primary cause and essence chamber disability is the main factor for the development and progression of OAS.

Ursolic acid alleviates chronic prostatitis via regulating NLRP3 inflammasome-mediated Caspase-1/GSDMD pyroptosis pathway.

Ursolic acid (UA) is a naturally occurring pentacyclic triterpenoid widely found in fruits and vegetables. It has been reported that UA has anti-inflammatory effects. However, its efficacy and mechanism of action in the treatment of chronic prostatitis (CP) remain unclear.

Mechanism of Shugan Yidan fan, a Chinese herbal formula, in rat model of premature ejaculation.

Background: Premature ejaculation (PE) is one of the most common forms of sexual dysfunction in men, and multimodal therapeutic regimens should be considered to treat the condition. We developed a Chinese medicine herbal medicine, Shugan Yidan fang that had a significant clinical effect on PE patients, extending the time between penetration and ejaculation. However, the mechanism of this formula remains unclear.

Efficient capture of uranium by a hydroxyapatite-modified polyethyleneimine@carbon nanotube composite from radioactive nuclear waste.

The toxicity and radioactivity of uranium (U)-containing wastewater pose a serious threat to the environment of humans, animals, and plants. It is necessary to remove U from contaminated wastewater. With high adsorption capacity and fast adsorption rate, a composite CNT-P/HAP, which comprises carbon nanotubes (CNT) modified with polyethyleneimine (PEI), was functionalized further by hydroxyapatite (HAP) using the hydrothermal method.

Danggui Buxue decoction alleviates cyclophosphamide-induced myelosuppression by regulating β-hydroxybutyric acid metabolism and suppressing oxidative stress.

Context: Danggui Buxue Decoction (DBD) is an effective complementary medicine in alleviating myelosuppression after chemotherapy (MAC). However, its mechanism of action is elusive.

Objective: To illustrate that regulating β-hydroxybutyric acid (β-OHB) metabolism and suppressing oxidative stress could be a potential mechanism of action for DBD in alleviating MAC.

Corrosion Behavior on 20# Pipeline Steel by Sulfate-Reducing Bacteria in Simulated NaCl Alkali/Surfactant/Polymer Produced Solution.

The corrosion behavior of sulfate-reducing bacteria (SRB) on 20# carbon steel in the NaCl alkali-surfactant-polymer (ASP) flooding system was studied by scanning electron microscopy, electrochemical measurement, X-ray photoelectron spectroscopy, and laser confocal microscopy. The results showed that the presence of SRB results in a large viscosity loss of the system. SRB can use hydrolyzed polyacrylamide (HPAM) as a nutrient to grow, and the number of SRB remained at a high level after 15 days.

Identification and immuno-infiltration analysis of cuproptosis regulators in human spermatogenic dysfunction.

Cuproptosis seems to promote the progression of diverse diseases. Hence, we explored the cuproptosis regulators in human spermatogenic dysfunction (SD), analyzed the condition of immune cell infiltration, and constructed a predictive model. Two microarray datasets (GSE4797 and GSE45885) related to male infertility (MI) patients with SD were downloaded from the Gene Expression Omnibus (GEO) database.

Design, synthesis, and biological evaluation of novel napabucasin-melatonin hybrids as potent STAT3 inhibitors.

The current work developed diverse novel napabucasin-melatonin hybrids as potent STAT3 inhibitors. Several biological studies have suggested many compounds demonstrating potent inhibition against different tumor cells. Among these, compound 7e depicted enhanced inhibition against HepG2, MDA-MB-231, and A549 cells than napabucasin, with IC values of 1.

Photocatalyst-free visible-light-induced highly selective acylation of purine nucleosides at the C6 position.

A protocol for visible-light-induced C-H acylation selectively at the C6 position of purine nucleosides with aldehydes under photocatalyst-free conditions was established herein. This protocol allows the green, mild, and efficient functionalization of various purine nucleosides with a broad range of alkyl and aryl aldehydes.

Relationship between pyroptosis-mediated inflammation and the pathogenesis of prostate disease.

The largest solid organ of the male genitalia, the prostate gland, is comprised of a variety of cells such as prostate epithelial cells, smooth muscle cells, fibroblasts, and endothelial cells. Prostate diseases, especially prostate cancer and prostatitis, are often accompanied by acute/chronic inflammatory responses or even cell death. Pyroptosis, a cell death distinct from necrosis and apoptosis, which mediate inflammation may be closely associated with the development of prostate disease.