COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Herbal Mucoadhesive Gels for Canker Sores: Analysis of Physicochemical Properties, Efficacy, and Safety
Yapar EA, İnal E, Kara BA, Yıldırım TS, Nur Yılmaz F, Özkanca C, Erdal MS, Döşler S and Kartal M
The goal of this research was to formulate mucoadhesive gels using hydroglyceric extracts of Cistus creticus L. and Inula viscosa (L.) Aiton, either separately or in combination, utilizes carboxymethyl cellulose and detects their physicochemical characteristics and safety for oromucosal cells and antimicrobial (antibacterial, antifungal, and antiviral) efficacy to assess their performance.
Exploring the Mechanism of Acupuncture in Improving Ovarian Function in Rats with Poor Ovarian Response Using High-Throughput Sequencing
Liu Y, Yang W, Yuan R, Li Z, Wang T, Yang B, Li Z, Wang M and Wu J
This study aimed to investigate the possible mechanism through which acupuncture protects ovaries with Poor Ovarian Response (POR) in rats based on microRNA (miRNA).
Therapeutic Bioactivities and Chemical Composition Analysis of Rhizome Oleoresin of Hedychium coronarium Collected from Uttarakhand, India
Arya S, Kumar R, Prakash O, Latwal M, Pandey G, Kumar S, Srivastava RM and Mali SN
Hedychium coronarium J. König, from the Zingiberaceae family, is a rhizomatous herb used in Ayurvedic medicine for its febrifuge, anti-rheumatic, and anthelmintic properties.
FOLR1 Regulates the Malignant Progression of Glioblastoma through the SRC/ERK1/2 Axis
Jia X, Liang W, Yang J, Chen X, Bin Y, Cao Z and Tian Q
GBM is an aggressive brain tumor with limited treatment options. Prior research has indicated FOLR1 as a pivotal gene involved in cancer pathogenesis.
Mechanism Analysis of the Effect of Cordycepin on Colorectal Cancer via Network Pharmacology and Experiment
Chen Y, Wang P, Zhang M, Yang H and Liang B
Colorectal Cancer (CRC) has attracted much attention due to its high mortality and morbidity. Cordycepin, also known as 3'-deoxyadenosine (3'-dA), exhibits many biological functions, including antibacterial, anti-inflammatory, antiviral, anti-tumor, and immunomodulatory effects. It has been proven to show anticancer activity in both laboratory research studies and living organisms. However, the molecular mechanism of the effect of cordycepin on CRC remains unclear.
PGD2/PTGDR2 Signaling Affects the Stemness of Gastric Cancer Stem Cells by Regulating Autophagy
Wang F, Tian H, Gao P, Cha Z and Zhang Q
Prostaglandin D2 (PGD2) can inhibit the development of gastric cancer (GC); however, its role in the autophagic death of GC stem cells (GCSCs) remains elusive. Therefore, this study aims to evaluate the mechanisms by which PGD2 regulates the stemness in GCSCs.
Cellulose and Cellulose Nanomaterials: Recent Research and Applications in Medical Field
Khanday MA, Shergujri DA, Noor A, Fayaz S, Raza SN, Mir RH and Khan NA
Cellulose, the most prevalent biopolymer in the world, is comprehensively reviewed. Cellulose occurs in fibrillar patterns with alternating crystalline and amorphous regions. The non-toxic and -friendly nature of cellulose has made it beneficial in many fields, such as pharmaceuticals, biomedical, nanotechnology, etc. Numerous sources, including the plant cell wall and wood, some types of bacteria, algae, and tunicates can provide cellulose. This polysaccharide is composed of a straight chain of d-glucose units attached by β (1 → 4) that extend in number from several hundred to thousands. This review details the recent progress in the synthesis of cellulose nanofibers or nanofibrillated cellulose, cellulose nanocrystals, commonly referred to as nanocellulose, and bacterial cellulose. The methodologies and procedures for evaluating the morphology, purity, crystallinity, mechanical, rheological, and other characteristics of cellulose micro/nanomaterials are covered in this review. The current study also discusses several ways to functionalize CNFs, CNCs, and BC. Finally, a guide to the synthesis of cellulose nanocomposites is provided, along with possible uses in the biomedical field, such as wound healing, bone tissue engineering, and artificial blood vessel production. Additionally, applications related to the pharmaceutical industry are also highlighted.
Mechanistic Insights into Kaempferol's Therapeutic Effects on Postmenopausal Osteoporosis: A Proteomic and Experimental Validation in Ovariectomized Rats
Zhang C, Huang X, Qin B, Zhang X, Liang Z, Pu Z, Xu Z, Wu X, Liu F, Yang L, Chen F and Yan Q
Postmenopausal Osteoporosis (PMOP) is characterized by decreased bone mass and deterioration of bone microarchitecture, leading to increased fracture risk. Current treatments often have adverse effects, necessitating safer alternatives. Kaempferol, a flavonoid identified as a key active component of the traditional Chinese medicine Yishen Gushu formula, has shown promise in improving bone health, but its mechanisms in PMOP treatment remain unclear.
Mechanism of HJ11 Decoction in the Treatment of Atherosclerosis Based on Network Pharmacology and Experimental Validation
Lu F, Zou J, Xu W, Zhang F, Nie W, Zhao Y, Jiang L, Liang L and Hu J
HJ11 (HJ11 decoction), which is based on the traditional prescription Si-Miao-Yong-An decoction, has exerted a remarkable effect on atherosclerosis (AS). Nevertheless, the main components and underlying mechanisms of HJ11 for treating AS remain unclear.
Mechanisms of the Compound of Magnoliae Flos and Xanthii Fructus Essential Oils for the Treatment of Allergic Rhinitis based on the Integration of Network Pharmacology, Molecular Docking, and Animal Experiment
Lu T, Yang Y, Yang Z, Liu Z, Li M, Lu Z, Gong T and Zhang J
Magnoliae Flos (Chinese name: Xin-Yi) and Xanthii Fructus (Chinese name: Cang-Er-Zi) are Chinese herbal medicines and have been used to treat allergic rhinitis (AR). However, the therapeutic effect, active ingredients, and probable processes of a compound of Magnoliae Flos and Xanthii Fructus in the form of essential oils (CMFXFEO) in treating AR have not been reported. This study aims to determine the efficacy of the CMFXFEO on ovalbumin (OVA)-induced AR in a rat model and to use network pharmacology and molecular docking to reveal the hub genes, biological functions, and signaling pathways of CMFXFEO against AR.
Predicting Polymerase Chain Reaction Success: Integrating the K-Word Order Model, Physicochemical Properties Modeling of Double Bases, and Support Vector Machine
Yan L, Liu Y and Yang Y
Polymerase Chain Reaction (PCR) has been a pivotal scientific technique since the twentieth century, and it is widely applied across various domains. Despite its ubiquity, challenges persist in efficiently amplifying specific DNA templates.
Angelicin Inhibits NSCLC Tumor Growth via the Inhibition of Cancer-Associated Fibroblasts
Ding B, Yin H, Cao S, Cheng K and Ge L
This study aimed to investigate the effect of angelicin on the NSCLC tumor growth.
Exploring the Mechanism of Shi-San-Wei-He-Zhong-Wan in the Treatment of Functional Dyspepsia Based on Network Pharmacology and Experimental Validation
Li XM, Zhu JW, Li KW, Han XY, Ruan JR and Chu HR
The incidence of Functional Dyspepsia (FD) is gradually increasing, yet there are currently no effective treatment methods available. This study explored the effective components, potential targets, and pathways of Shi-San-Wei-He-Zhong-Wan (SSWHZW) in the treatment of FD, aiming to provide new insights into its treatment.
Hepatoprotective Potential of Indian Medicinal Plants
Kumari A, Chandila N, Bhutani R and Yadav I
The liver is essential for both the body's removal of waste materials and the metabolism of nutrients, it is critical for sustaining general health. However, a number of factors, including viral infections, immune system malfunctions, cancer, alcohol intake, and drug toxicity, are contributing to the rising prevalence of liver problems. Alternative approaches to liver disease treatment are being investigated due to the potential limitations of conventional medical treatments. In this regard, the possible hepatoprotective effects of medicinal plants containing bioactive chemicals high in antioxidants have drawn attention.
Resveratrol Reduces Cisplatin-induced Cochlear Hair Cell Pyroptosis by Inhibiting the mtROS/TXNIP/NLRP3 Pathway
Peng A, Peng J, Lai R, Liu W, Chen X, Hu B, Xu Y and Li L
Cisplatin is an effective anti-cancer drug with limited clinical applications due to ototoxicity. Resveratrol, known for its antioxidant and anti-inflammatory properties, has been reported to mitigate these adverse effects, although the underlying mechanism remains under-researched.
Transcriptome-Based Analysis of the Oxidative Response of Thermotoga maritima to the O2 Stress
Lakhal R, AlMatar M, Alkalaf T and Albarri O
Thermotoga maritima is an anaerobic hyperthermophilic eubacterium isolated from geothermally heated maritime surfaces. It can grow at temperatures up to 80 degrees Celsius.
Investigation of the Mechanism of Pachyman against Gout Arthritis with Network Pharmacology Analysis and Verification In Vivo
Kong QX, Xu WP, Fan C, Liu BL, Reng LP and Ruan Q
Pachyman, derived from Poria cocos, has been used to treat gouty arthritis (GA) for thousands of years, although its precise role and mechanisms remain unclear. Herein, we investigate the therapeutic effects of pachyman on GA and explore their underlying mechanisms.
Artificial Intelligence in Computer-Aided Drug Design (CADD) Tools for the Finding of Potent Biologically Active Small Molecules: Traditional to Modern Approach
Siddiqui B, Yadav CS, Akil M, Faiyyaz M, Khan AR, Ahmad N, Hassan F, Azad MI, Owais M, Nasibullah M and Azad I
Computer-Aided Drug Design (CADD) entails designing molecules that could potentially interact with a specific biomolecular target and promising their potential binding. The stereo- arrangement and stereo-selectivity of small molecules (SMs)--based chemotherapeutic agents significantly influence their therapeutic potential and enhance their therapeutic advantages. CADD has been a well-established field for decades, but recent years have observed a significant shift toward acceptance of computational approaches in both academia and the pharmaceutical industry. Recently, artificial intelligence (AI), bioinformatics, and data science have played a significant role in drug discovery to accelerate the development of effective treatments, reduce expenses, and eliminate the need for animal testing. This shift can be attributed to the availability of extensive data on molecular properties, binding to therapeutic targets, and their 3D structures. Increasing interest from legislators, pharmaceutical companies, and academic and industrial scientists is evidence that AI is reshaping the drug discovery industry. To achieve success in drug discovery, it is necessary to optimize pharmacodynamic, pharmacokinetic, and clinical outcome-related properties. Moreover, the advent of on-demand virtual libraries containing billions of drug-like SMs, coupled with abundant computing capacities, has further facilitated this transition. To fully capitalize on these resources, rapid computational methods are needed for effective ligand screening. This includes structure-based virtual screening (SBVS) of vast chemical spaces, aided by fast iterative screening approaches. At the same time, advances in deep learning (DL) predictions of ligand properties and target activities have become very helpful, as they no longer need information about the structure of the receptor. This study examines recent progress in the drug discovery and development (DDD) approach, their potential to reshape the entire DDD process, and the challenges they face. This review examines the role of artificial intelligence as a fundamental component in drug discovery, particularly focusing on small molecules. It also discusses how AI-driven approaches can expedite the identification of diverse, potent, target-specific, and drug-like ligands for protein targets. This advancement has the potential to make drug discovery more efficient and cost-effective, ultimately facilitating the development of safer and more effective therapeutics.
Ir-Catalyzed Intermolecular Arylthiocyanation of Alkenes
Xu J, Leng J, Huang H, Li Y and Chen YQ
Organic thiocyanates are important pharmaceutical intermediates. This study aimed to develop a selective and efficient approach for synthesizing organic thiocyanates.
Betanin Mitigates Inflammation and Ankle Joint Damage by Subduing the MAPK/NF-κB Pathway in Arthritis Triggered by Type II Collagen in Rats
He Y, Hussain SA and Dai W
Rheumatoid Arthritis (RA), a chronic inflammatory autoimmune illness, is characterized by synovitis, progressive joint damage, and bone erosion. Even though the potent drugs available contain biologics, several patients fail to react to them or cause hostile effects.
Forsythiaside A Ameliorates Inflammation by Regulating the Autophagy in Methotrexate-induced Intestinal Mucositis
Lang W, Zhang J, Xiao X, Cheng M, Zheng X, Gong H, Ali I, Zhao Y, Jia F, Wang Z, Wang J, Li W and Zhang H
Methotrexate (MTX) effectively eliminates cancerous cells but can also cause inflammation intestinal, known as mucositis. Forsythiaside A (FTA) from Forsythia suspensa has shown promise in relieving mucositis by targeting the NLRP3 pathways. Since NLRP3 inflammasome activation is negatively regulated by autophagy, this study explores how FTAmediated autophagy affects NLRP3 inflammasome in treating MTX-induced intestinal inflammation.