Letters in Drug Design & Discovery - Volume 21, Issue 15, 2024

BackgroundNumerous inhibitory peptides against angiotensin I-converting enzyme, a target for hypertension treatment, have been found in previous studies. Recently, machine learning screening has been employed to predict unidentified inhibitory peptides using a database of known inhibitory peptides and descriptor data from docking simulations.ObjectiveThe aim of this study is to focus on angiotensin I-converting e Read More

IntroductionThe continuous pursuit of novel chemotherapeutical agents with improved efficacy and reduced adverse effects remains a critical area of research despite advancements in chemotherapy. We have previously synthesized indolenine and barbituric acid zwitterion scaffolds 1–10 sustainably; however, their precise chemotherapeutical properties are still lacking.MethodsIn this present work, we conducted in silico A Read More

BackgroundMetabolic syndrome (MetS), also known as syndrome X or insulin resistance, is a complex disorder characterized by multiple risk factors. It is caused by insulin resistance, which is accompanied by abnormal accumulation and dysfunction of adipose tissue.IntroductionRecently, several studies have evaluated the efficacy of herbs on MetS. The purpose of this meta-analysis is the comprehensive assessment of the Read More

BackgroundAntinociceptive effect of fenugreek seeds (Trigonella foenum-graecum L.) has been reported in different animal models in response to various chemical or thermal stimuli. In a recent study, alkaline chloroform fraction (AKC) of this plant has exhibited the greatest analgesic effect.ObjectiveIn the present study, to isolate the active component(s) from the plant, the subfractions resulting from AKC column chro Read More

AimsIn this research, 3D-QSAR evaluation on a set of fresh purinoid compounds that we produced was conducted. This analysis aims to illustrate the correlation between the structure of purine and its ability to prevent platelet aggregation. Our findings could pave the way to discovering novel antithrombotic medications.BackgroundThe incidence of cardiovascular disease triggered by the clumping of platelets poses a significan Read More

BackgroundMulticomponent reactions (MCRs) have proven as one of the best alternatives to minimize several environmental consequences, mainly the use of hazardous chemicals, by-products, and severe production processes. Literature reveals that MCRs with PEG-400 and metal oxide-based greener media provide a new and useful strategy for the construction of biologically potent organic systems.ObjectiveThe present study Read More

BackgroundConsumption of a high-fat diet (HFD) is one of the main causes of non-alcoholic fatty liver disease (NAFLD), which is increasing due to lifestyle changes and is still an important global health issue. Despite the efforts, there is still no common treatment for this disease. Studies have shown that the root of Rheum turkestanicum Janisch has a hypolipidemic effect and a significant antioxidant effect on liver tissue in diab Read More

BackgroundMethamphetamine (METH) is a highly addictive neural stimulant that severely affects the CNS and can induce oxidative damage. Piperine and curcumin are active constituents that have numerous properties, including antioxidant, anti-inflammatory, and neuroprotective.ObjectiveIn this study, the synergistic effect of piperine and curcumin nanoparticles was investigated on the acute dose Read More

IntroductionBreast cancer is one of the most prevalent malignancies among women around the world. Crocus sativus, a natural food coloring and flavoring, has potent anti-tumor properties. The aim of the current study was to investigate the therapeutic potential of crocin, the main pharmacological active component of saffron, either alone or in combination with the standard chemotherapeutic treatment, 5-FU, in Br Read More

BackgroundPreviously restricted to remote areas of Central and Western Africa, the MPOX virus-based disease, also known as monkeypox, has now spread to more than 90 countries and has become endemic. As a consequence, the MPOX virus has become a global public health concern.ObjectiveThe objective of this study was to conduct a computational-multiparametric study (at the genomic and proteomic leve Read More

AimsSynthesis of novel 4-bromobenzoic acid-based hydrazone-Schiff base derivatives and to screen them for their α-amylase inhibitory activity.BackgroundThe most often employed organic compounds are derivatives of the hydrazone-Schiff base. Numerous biological actions, such as antipyretic, antiviral, anti-inflammatory, anti-proliferative, anti-malarial, antibacterial, and anti-fungal ones, have been linked to them. Read More

BackgroundPeroxisome proliferator-activated receptor-gamma (PPAR-γ) plays a crucial role in regulating lipid and glucose metabolism, cancer, and inflammation, making it an attractive target for drug development. Meanwhile, β-Carotene, known for its antioxidant, anticancer and anti-inflammatory properties, holds promise for modulating PPAR-γ activity. Understanding their interaction is crucial.ObjectiveThis study aim Read More

BackgroundPaeoniflorin has been proven to have neuroprotective and antidepressant effects in several studies. However, there is currently no comprehensive elaboration of its antidepressant effects through network pharmacology combined with transcriptomics analysis. The purpose of this study is to explore the potential mechanisms by which paeoniflorin exerts its antidepressant effects using network pharmacology an Read More

BackgroundSince renal ischemia-reperfusion (I/R) can lead to a serious health problem, aquaporins have important roles in preventing negative changes in electrolyte-water balance. This study aimed to determine the effect of naringin treatment on renal function and AQP1 and AQP2 levels in the kidney cortex and medulla tissues in experimental renal I/R in rats.Materials and MethodsThe study was carried out on 40 male Wi Read More

BackgroundNitric oxide (NO), an important second messenger molecule, regulates numerous physiological responses, while excessive NO generates negative effects on the circulatory, nervous and immune systems. Recently, some natural flavonoids were reported to possess the capability of inhibiting LPS-induced NO production. To fully understand the nature of their own NO inhibitory activity, it is necessary to ad Read More

BackgroundConformational changes in BAX are associated with the activation of its pro-apoptotic potential. Previously, small molecule BAX antagonists have been shown to bring about apoptosis by inducing conformational changes in BAX by direct binding to the serine 184 site of BAX.MethodsIn this article, we have proposed that syringic acid analog SA14 can incur apoptosis by directly binding to and inducing conf Read More

BackgroundThe increasing incidence of hyperlipidemia (HLP) is attributed to the imbalance in redox homeostasis, aberrant lipid metabolism, and the excessive intake of empty calories. Dajihan Pill (DJHP) is a Traditional Chinese Medicine (TCM) formula composed of Zingiberis Rhizoma (ZR), Piperis Longi Fructus (PLF), Alpiniae Officinarum Rhizome (AOR), and Cinnamomi Cortex (CC) in a ratio of 3:2:3:2. It exhibits a significant Read More

BackgroundIn recent years, as the biological activity of the quinoxaline skeleton has been revealed in numerous studies, interest in synthesizing new prototype molecules for the treatment of many chronic diseases, especially cancer, has increased.MethodsThe desired alkoxy substituted aminoquinoxalines (AQNX1-9) were synthesized by the reaction of QNX and alkoxy substituted aryl amines such as 2-methoxyaniline, 4- Read More

BackgroundThe use of traditional Chinese medicine (TCM) for the treatment of chronic prostatitis/chronic pelvic pain syndrome (CP/CPPS) is widespread. The purpose of this study is to investigate the preliminary mechanism of Epimedium brevicornu Maxim., Cortex Phellodendri Chinesis (CPC), and Earthworm in the CP/CPPS model.MethodsFifty C57BL/6 male mice were randomized into five groups: control, model, Epimed Read More