Combinatorial Chemistry & High Throughput Screening - Volume 26, Issue 9, 2023

Background: Ageratina is an American genus of the tribe Eupatorieae (Asteraceae), comprising about 320 species. In Mexico, some species of this genus are highly valued for their medicinal properties, particularly A. pichinchensis, A. petiolaris, and A. grandifolia. Furthermore, herbal preparations of A. pichinchensis are available for treating several mycoses. Aims and Objective: The present review is aimed to summar Read More

Background: Hairy agrimony (Agrimonia pilosa Ledeb.) is a traditional medicinal plant widely used in Eastern Europe and Eastern Asia. The plant is harvested as it comes into flower and could be dried for later usage. Hairy agrimony has been traditionally introduced to treat sore throat, abdominal pain, headache, mucoid dysentery, bloody and white discharge, parasites, and eczema. Objective: Since the 1950s, various e Read More

Background: Citrus grandis ‘Tomentosa,’ a fruit epicarp of C. grandis ‘Tomentosa’ or C. grandis (L.) Osbeck is widely used in health food and medicine. Based on our survey results, there are also rich essential oils with bioactivities in leaves, but the chemical compounds in this part and relevant pharmacological activities have never been studied systematically. Therefore, this study was to preliminarily decipher the phar Read More

Background and Aim: Major Depressive Disorder (MDD) is a common affective disorder. GuiPi decoction (GPD) is used to treat depression in China, Japan, and Korea. However, its effective ingredients and antidepressant mechanisms remain unclear. We attempted to reveal the potential mechanisms of GPD in the treatment of MDD by network pharmacology and molecular docking. In addition, we conducted an enzymatic Read More

Objective: The study aims to explore the prognostic significance of zona pellucida glycoprotein 3 (ZP3) in hepatocellular carcinoma (HCC) tissues. Methods: The expression of ZP3 protein in HCC tissues was detected by immunohistochemistry (IHC) to study its effects on the clinicopathological characteristics and prognosis of HCC patients. The Cancer Genome Atlas (TCGA) database was used to confirm the expression of ZP3 in Read More

Background and Objective: Traditional Chinese medicines that have inhibitory effects on the CYP3A4 enzymes were screened and their inhibitory effects were verified with in vitro bioassay. Methods: The computer virtual screening methods, including the CYP3A4 enzyme pharmacophore model and the molecular docking method, were used to rapidly screen the potential CYP3A4 inhibitors in the Traditional Chinese Medicine Data Read More

Background: Streptococcus mutans is one of the bacteria that contributes to biofilm formation and causes dental caries. The inhibition of SrtA, gbpC, and Ag I/II is a promising target to be developed as an antibacterial. Ocimum basilicum is known to have antibacterial activity. Aim and Objective: The aim of this study is to evaluate the potential nevadensin as antibacterial against in-silico. Methods: Antibacterial analysis Read More

Background: Depression is a typical outcome of the repair of posttraumatic stress disorder (PTSD). Based on network pharmacology and neuropharmacology experiments, this study aimed to explore how gastrodin (GAS) reverses depressive symptoms in traumatically stressed rats. Methods: GAS-related targets were predicted by SwissTargetPrediction; depression-related targets were collected from GeneCards and t Read More

Background: Intervertebral Disc Degeneration (IDD) is a heterogeneous spinal disease whose underlying molecular mechanism is unclear. Objectives: This study aimed to identify, profile, and analyze microRNAs (miRNAs) related to IDD. Methods: Microarray Gene Expression IDD data (GSE63492) were downloaded from Gene Expression Omnibus datasets. We employed Weighted Gene Co-Expression Network Analysis ( Read More

Background: Isoindolin-1-ones are medicinally privileged heterocyclic compounds. Due to the interesting biological activities exhibited by these compounds, several synthetic and medicinal research groups have developed numerous synthetic approaches for these compounds. We have also previously reported two efficient approaches for the synthesis of the isoindolin-1-ones through iodoaminocyclization of alkynyl amides us Read More

Introduction: Limited number of researches in the literature have been reported to examine degradation stability by regression methods. Monitoring storage stability of plant extracts containing phytochemicals has become a special field. Objective: This study aims to develop model equations to examine the stability of total phenolic material (TPM) and total anthocyanin (TA) in the sour cherry peel extract under sever Read More

Background: Osteoporosis is a prevalent disease for the aged population. Chinese herbderived natural compounds have anti-osteoporosis effects. Due to the complexity of chemical ingredients and natural products, it is necessary to develop a high-throughput approach with the integration of cheminformatics and deep-learning methods to explore their mechanistic action, especially herb/drug-gene interaction networks. Metho Read More