Organic Chemistry
Green Tea's EGCG: Brewing Hope in the Battle against Breast Cancer
Breast cancer a pervasive global malignancy is anticipated to undergo a significant increase by 2040. Despite the conventional armamentarium of treatments including chemotherapy radiation therapy and surgery the intricate landscape of breast cancer characterized by its multifaceted surface receptors and signalling pathways presents formidable challenges to treatment efficacy. Epigallocatechin-3-gallate (EGCG) extracted from Camellia sinensis has emerged as a subject of interest due to its robust antioxidative properties stemming from its chemical structure. EGCG exerts its effects on pivotal stages of tumour growth and proliferation by modulating key signalling pathways such as MAPK PI3K NFkB and ERK1/2 influencing apoptosis and cell cycle regulation. Clinical trials have provided insights into EGCG's potential impact on breast cancer such as mammographic density and pharmacokinetics indicating its potential as a potent therapeutic agent. Moreover when administered with conventional chemotherapy EGCG demonstrates synergistic effects enhancing therapeutic outcomes. Nevertheless further research is warranted to validate the safety and efficacy of EGCG in breast cancer prevention and treatment.
Harzianolides H-J: Three New Butenolides Isolated from the Fungus Trichoderma harzianum
Marine fungi have been recognized as new sources for the discovery of valuable secondary metabolites providing lead compounds for drug discovery and development.
The objective of this study was to isolate and identify the secondary metabolites from the marine-derived fungus Trichoderma harzianum ZN-4 and evaluate their antifungal activity.
Fungus strain Trichoderma harzianum ZN-4 was initially fermentated using a PDB liquid medium. Subsequently extensive chromatographic methods were applied to isolate the fermentation cultures of ZN-4 and the chemical structures of isolate compounds were elucidated by 1D and 2D NMR ECD and HRESIMS. The antifungal activity was evaluated using the broth microdilution method.
Three new butenolides harzianolides H–J (1–3) were isolated from T. harzianum ZN-4 and cultivated on a sterilized PDB medium. Activity evaluation showed that compounds 1-3 exhibited potent antifungal activity with MIC values of 12.5-100 μg/mL against the phytopathogenic fungus Pestalotiopsis theae.
This study not only enriched the structural diversity of the harzianolide family but also revealed their anti-P. theae activity which may be potential antifungal agents.
Triazines as Versatile Scaffolds in Drug Discovery: A Comprehensive Review on Recent Advances and Emerging Therapeutic Applications
Triazine is a heterocyclic aromatic ring that is divided into three isomers by nitrogen atom positions. 2-Aza-2-desamino-58-dideazafolic acid and 2-azaadenosine are 123-triazine derivatives whereas azaribine tirapazamine lamotrigine and 6-azacytosine are 124-triazine derivatives. Natural antibiotics like fervenulin reumycin and toxoflavin have a triazine ring structure. Ammeline aceto-guanide acetoguanamine cyanuric acid and melamine all include 135-triazine isomer or s-triazine as a lead structure. Hexamethylmelamine (altretamine) atrazine cycloguanil and almitrine are examples of s-triazine-containing medications. Triazines are important in pharmaceutical chemistry because they exhibit a wide range of pharmacological actions making them valuable for drug design and development. Some triazine analogs have recently been tested in clinical trials which might lead to more powerful medications and have fewer adverse effects than currently available pharmaceuticals. This article discusses the biological significance and synthesis of several triazine derivatives derived from heterocyclic and Triazine-containing medicines.
Pyrazole and Pyrimidine Scaffolds as Promising Anticancer Agents
Nitrogen-containing heterocycles play a crucial role in medicinal chemistry and drug discovery as several anticancer FDA-approved medicines are based on these compounds. Their structural and biological properties significantly impact their anticancer activity. Pyrazole and pyrimidine scaffolds show great anticancer potential. This review summarizes the synthesis and anticancer activity of several pyrazole and pyrimidine-based compounds which exhibit great potential as cancer treatment candidates. The structural and biological characteristics of pyrazole and pyrimidine rings make them suitable scaffolds for designing novel anticancer agents. This review describes various synthetic routes for the preparation of pyrazole and pyrimidine derivatives as well as their mechanisms of action in cancer therapy. These compounds exhibit potent cytotoxicity against breast lung and colon cancer cell lines. A detailed synthesis scheme shows how to incorporate pyrazole and pyrimidine scaffolds into medicinal compounds. Recent studies suggest that these derivatives exhibit substantial antitumor effects supporting their development as targeted cancer therapies. Through the detailed description of synthesis mechanisms of action and anticancer activity this review provides useful information on pyrazole and pyrimidine derivatives as potential future anticancer agents highlighting their therapeutic potential in cancer treatment.
Advances in the Synthesis and Therapeutic Exploration of Pyrazole/Pyrazoline- Bearing Benzimidazoles: Searching for New Lead Compounds
This comprehensive review outlines the multifaceted applications of pyrazolines and benzimidazoles encompassing their discovery synthetic methodologies patent landscape and clinical trial outcomes with a focus on pyrazoline-benzimidazole or pyrazole-benzimidazole derivatives. This review highlights the synthesis and biological evaluation of pyrazoline-bearing benzimidazoles obtained through the reaction of benzimidazoles with substituted pyrazolines/pyrazoles. The synthesized compounds demonstrated a broad spectrum of pharmacological activities including antimicrobial antibacterial antitubercular antimalarial anthelmintic antiproliferative anticancer antinociceptive antihistaminic antiulcer etc. Research on pyrazoline and benzimidazole derivatives constitutes a dynamic field expanding the research domain within pharmaceutical chemistry and offering potential therapeutic solutions for various diseases.
Effects of Catalysts, Solvents, and Temperature on Nenitzescu Reaction
Indole derivatives possess a wide range of biological activities including antibacterial anti-inflammatory analgesic and anticancer properties. The Nenitzescu reaction is a valuable approach for their synthesis; however there are challenges such as the limited availability of dinitro derivatives and complex workup procedures which necessitate optimization and improvement in practical efficiency. The Nenitzescu reaction is a versatile method for synthesizing hydroxyindoles particularly 5-hydroxyindoles. 5-Hydroxyindoles play a crucial role as fundamental components in a wide range of natural chemicals and pharmaceuticals. This reaction has the potential to be applied in the fields of medicinal chemistry and natural product synthesis. The selection of catalysts solvents and temperature is a crucial factor in maximizing yields. Scientists have examined different solvents catalysts and reaction conditions in order to improve the output and effectiveness of the Nenitzescu process. The objective of this study is to examine the requirements for producing 5-hydroxyindoles by the Nenitzescu reaction. The study investigates the influence of catalysts solvents and reaction temperatures on the yield of the reaction. The main emphasis is on the Nenitzescu reaction with the objective of enhancing its practicality and environmental friendliness. Several trials using various solvents and catalysts are conducted. Nitromethane and acetic acid serve as effective solvents. The cyclization of hydroxy indoles is enhanced by zinc halides specifically ZnCl2 or ZnI2.
Recent Development of Asymmetric Allylic Alkylation with Organometallic Reagents by Copper-Catalysis
Asymmetric catalysis has witnessed remarkable progress in recent decades due to the importance of chiral compounds which play a pivotal role in numerous contemporary fields. Catalytic enantioselective C-C bond formation is an efficient method for constructing a variety of chiral molecules. Copper-catalyzed asymmetric allylic alkylation stands out as one of the most effective and appealing approaches within this category. This review comprehensively summarizes representative examples of asymmetric allylic alkylation catalyzed by copper involving organometallic reagents over the last few decades and classifies them according to the type of organometallic reagents such as organomagnesium and organolithium compounds.
A Deep Insight into the Indole Nucleus: Pharmacological Action, Structure-Activity Relationship, and Eco-Friendly Synthetic Approaches
In recent years the indole core has emerged as a highly favored scaffold in drug research. Although indole was first shown to be an anticancer agent in vinca alkaloids it also continued to exhibit many activities with various mechanisms in other diseases such as diabetes HIV Alzheimer's and hyperlipidemia. Indole derivatives have proved that they deserve researchers’ attention due to their biochemical diversity in plenty of plants bacteria animals marine organisms and humans as well as the fact that they are used to synthesize several FDA-approved drugs. The main review’s objective is to compile a comprehensive listing of almost all reported pharmacological activities from 2011 to 2025 with the structure-activity relationship of potentially active compounds. It also highlights several green approaches and recent indole and indole derivative synthesis trends.
Advances in Nickel-Metallaphotoredox Catalysis in Organic Synthesis: A New Approach to Targeted Reaction Design
Nickel-metallaphotoredox catalysis has emerged as a groundbreaking approach in organic synthesis research over the last decade. It integrates the accessibility of the redox states of inexpensive earth-abundant nickel to capture carbon-centred radicals with the ability of photoredox catalysts (PCs) to mediate single-electron transfer (SET) or energy transfer (ET) for efficient selective and sustainable transformations. Advances in catalyst design reaction optimization and mechanistic understanding have unlocked a wide range of cross-coupling protocols enabling previously inaccessible or less efficient C-C bond formations. This progress opens new possibilities for innovative applications in pharmaceuticals materials science and beyond. This mini-review focuses on advancements in the last three years in the formation of challenging C(sp3)-C(sp3) and C(sp3)-C(sp2) bonds both in two-component and three-component systems featuring a broad substrate scope with chemo- regio- and stereo-selectivity under mild conditions. Although mechanistic studies have been conducted for some systems and kinetic isotope effects have been probed for others detailed investigations using computational methods to understand the molecular interactions are lacking or sometimes fail to indicate a general trend of the catalytic mechanism. The discovery of novel approaches to open-shell radical species which dictate reactivity and selectivity will be of utmost importance in developing new reactions. These advances will enrich all areas of chemical sciences and create numerous opportunities for interdisciplinary research.
Vitiligo Treatment with Natural Bioactive: A Narrative Review
The lack of melanin-producing cells in the epidermis causes white patches to develop in vitiligo a chronic skin disorder. Although vitiligo seldom causes physical injury it can have serious psychological and social consequences such as diminished self-confidence and feelings of inadequacy. While there is no known cure for vitiligo there are several treatments that can help control the illness and lessen its impact on people's lives. In this review we take a look at the literature on phytoconstituents and plant extracts as prospective therapeutic agents for vitiligo. Traditional medicine has a long history of using plant extracts for the treatment of many ailments including skin diseases. The pharmacological effects of natural bioactive substances are diverse including antioxidant anti-inflammatory and immunomodulatory capabilities. For this reason they hold great promise as a vitiligo cure.
Recent Advances in the Chemistry of Herbal Drugs for the Management of Breast Cancer: An Update
Breast cancer remains a significant health concern worldwide prompting extensive research into alternative therapies such as herbal medicine. This review paper will provide insight into the potential of four herbal remedies namely Thymus vulgaris (thyme) Hibiscus Artemisia annua (sweet wormwood) and Moringa oleifera in the management of breast cancer. Thymus vulgaris exhibits anti-cancer properties through its bioactive compounds including thymol and carvacrol which demonstrate cytotoxic effects against breast cancer cells. Hibiscus extracts have been shown to inhibit breast cancer cell proliferation induce apoptosis and suppress tumor growth by targeting various molecular pathways. Artemisia annua particularly its active component artemisinin exhibits promising anti-cancer effects through the induction of apoptosis inhibition of angiogenesis and modulation of cell cycle progression in breast cancer cells. Additionally Moringa oleifera rich in bioactive compounds like quercetin and kaempferol exhibits anti-cancer properties by inhibiting cell proliferation inducing apoptosis and suppressing metastasis in breast cancer. These herbal remedies offer potential avenues for further investigation as adjunct therapies or standalone treatments for breast cancer management. However rigorous clinical trials are warranted to elucidate their efficacy safety profiles and optimal dosages for clinical use.
Deep Learning Approaches for Predicting Bioactivity of Natural Compounds
The investigation of computational techniques to forecast the bioactivity of natural substances has been spurred by the growing interest in utilizing their medicinal potential. A branch of artificial intelligence called deep learning (DL) has been particularly useful for predicting outcomes in a variety of fields such as bioactivity prediction and drug discovery by evaluating large amounts of complex data. An overview of current developments in the application of deep learning techniques to the prediction of natural chemical bioactivity has been presented in this article. The advantages provided by deep learning approaches such as convolutional neural networks (CNNs) recurrent neural networks (RNNs) and graph neural networks (GNNs) have been highlighted and the difficulties connected with conventional methods of bioactivity prediction have been examined. Moreover a variety of molecular representations—such as molecular fingerprints graph representations and molecular descriptors—that are fed into deep learning models have been studied. Additionally included in this study is the integration of many data sources including omics data chemical structures and biological tests to enhance the precision and resilience of bioactivity prediction models. Furthermore this review covers the uses of deep learning in target prediction virtual screening and poly-pharmacology study of natural substances. The paper concludes by discussing the field's present issues and potential paths forward such as the requirement for standardized benchmark datasets the interpretability of deep learning models and the incorporation of experimental validation techniques. All things considered this study sheds light on the most recent developments in deep learning techniques for estimating the bioactivity of natural substances and their possible effects on drug development and discovery.
A Comprehensive Review of Aloe vera: Composition, Properties, Processing, and Applications
Aloe vera a drought-resistant succulent is renowned for its wide-ranging medicinal properties. It has significant health benefits including anticancer wound and burn healing hypoglycemic gastroprotective antifungal and antiinflammatory properties. These properties have led to its use in various commercial applications particularly in skincare cosmetics and medicinal products. Additionally Aloe vera is increasingly employed as an edible coating for fruits and vegetables providing a natural alternative to postharvest chemical treatments. This review highlights Aloe vera's diagnostic properties and diverse applications focusing on its rich polysaccharides enzymes vitamins and minerals composition. Advances in analytical chemistry are enhancing the chemical characterization of Aloe vera promising more information and broader applications shortly. The study also explores the plant's processing into juice concentrate and powder forms underscoring its extensive use in pharmaceuticals cosmetics and functional foods particularly for its antioxidant and anti-inflammatory benefits.
Recent Insights into the Potential Roles of Crocin and Safranal in Alleviating Skin Aging: A Mini-Review
Research has been carried out regarding the benefits and influence of saffron and its derivatives on skin health. Crocin from Crocus sativus L. Gardenia jasminoides and Nyctanthes arbor-tristis and safranal from Crocus sativus L. might alleviate skin aging effects. This literature review discusses the mechanism of crocin and safranal as anti-inflammatory agents in reversing oxidative stress and improving aging effects on the skin. Based on the literature review crocin and safranal have strong antioxidant capacity. The mechanism that allows crocin to reduce oxidative stress is by directly neutralizing reactive oxygen species in human dermal fibroblasts and modifying keratinocyte O-linked glycobiology in human keratinocytes. Crocin also increases skin thickness and protects against blue light stress; its derivative crocetin could act like melatonin. Meanwhile safranal also has a potential mechanism for alleviating skin aging in the form of nanoparticles (liposome and solid nanoparticles) or pure safranal through inhibiting dermal enzymes that are involved in the process of skin aging such as elastase collagenase and hyaluronidase.
A Comprehensive Review on the Chinese Herbal Medicine Quzhiqiao
Quzhiqiao is a Chinese herbal medicine widely used in Zhejiang Province of China which originates from the cultivar Citrus aurantiun ‘Changshanhuyou’ named Changshanhuyou in Chinese. Citrus aurantiun ‘Changshanhuyou’ is a botanical variety of C. aurantium L. which is obtained after long-term domestication. It belongs to the Rutaceae family and mainly grows in Changshan County Zhejiang Province China. Quzhiqiao is an authentic Chinese medicinal material in the Zhejiang area with various pharmacological and curative effects. A comprehensive review and in-depth analysis of scientific literature on Quzhiqiao was conducted utilizing diverse electronic databases and additional sources. This review provides a comprehensive overview of its chemical components standardized quality control pharmacological activity and mechanism of action which also outlines future perspectives highlighting the necessity for further research for harnessing the potential of the therapeutic use of Quzhiqiao.
Therapeutic Applications of Oxalate-degrading Bacteria in Kidney Stone Prevention
Urolithiasis is a condition where kidney stones exit through the renal pelvis causing chronic pain. Kidney stones are usually formed due to the deposition of calcium and oxalate crystals. It is known to be a prevalent health condition that affects a large portion of the global human population. Inopportunely no medications that show effective prevention of urolithiasis are currently available. Extensive research has highlighted the significant role of commensal microbes in regulating host oxalate homeostasis and oxalate-associated pathological conditions. However limited knowledge of the pathophysiology of urolithiasis poses difficulties in designing target-based therapeutics. Growing evidence suggests the role of gut microbiota and probiotics in helping reduce the disease burden. Understanding the intricate relationship between gut-associated microbiota and its host symbiosis reveals the therapeutic potential of specific bacteria to prevent and/or treat such metabolic diseases. Oxalobacter formigenes a bacterium is considered crucial for degrading dietary oxalates through the oxalyl-CoA decarboxylase enzyme. The absence of this enzyme leads to hyperoxaluria and calcium oxalate urolithiasis underscoring the impact of microbiota on kidney stone formation. Studies on the urinary microbiome including those focusing on Oxalobacter formigenes Lactobacillus Bifidobacterium Eubacterium lentum Enterococcus faecalis and Escherichia coli elucidate the metabolism of dietary oxalates providing a novel approach to kidney stone management. This review aims to consolidate the present information on the urinary microbiome aetiology pathogenesis and disease prevention.
Improving Antioxidant Effect of Stemona tuberosa by Fermentation with Endophytic Fungus Penicillium expansum STRB13
Stemona tuberosa Lour. is a plant belonging to the genus Stemona (Stemonaceae) that has been utilized in traditional Chinese medicine (TCM) for its antitussive and antiparasitic properties. Endophytic fungi have been shown to play an important role in the growth and metabolism of plants. Fermentation involving endophytic fungi tends to result in the production of new or more potent pharmacological compounds.
The study aims to enhance the antioxidant activity of S. tuberosa by fermenting it with a symbiotic endophytic fungus.
Seven symbiotic endophytic fungi were used to screen and ferment S. tuberosa to improve antioxidant activity estimated by 22’-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity and ferric ion-reducing antioxidant power (FRAP). The chemical constituent changes were characterized by ultraviolet (UV) spectrum and high-performance liquid chromatography (HPLC) analysis.
Penicillium expansum STRB13 an endophytic fungus associated with S. tuberosa was screened for its ability to enhance antioxidant capacity through fermentation. The fermentation of S. tuberosa using P. expansum STRB13 significantly improved its DPPH radical scavenging activity achieving an IC50 value of 24.2 μg/mL. Additionally the ferric reducing antioxidant power (FRAP) of the fermented sample was fourteen times greater measuring 388.1 ± 32.6 μmol/L compared to 27.5 ± 1.0 μmol/L in the blank sample. Differences observed between the blank and P. expansum STRB13 fermented S. tuberosa (FST) in UV spectra and HPLC analysis indicated the production of new aromatic phenolic compounds through fermentation which contributed to the enhanced antioxidant activity.
This is the first time reporting on the fermentation processing of S. tuberosa with symbiotic endophytic fungus. This study revealed that P. expansum STRB13 FST will be an alternative natural antioxidant. Fermentation with symbiotic endophytic fungus is a new approach to processing TCM and discovering new compounds.
Inflammation and Cancer Development: Basic Mechanisms and Evidence of its Regulation by Hibiscus sabdariffa Natural Extracts
Hibiscus sabdariffa is a plant used in traditional medicine for intestinal treatments and nowadays for critical diseases like hypertension diabetes and cancer. Multidisciplinary approaches have demonstrated through Hibiscus sabdariffa extracts anti-inflammation and anti-cancer beneficial properties from compounds like phenols flavonoids and anthocyanins that are ubiquitously distributed in whole plants.
The objective of this study is to identify the bioactive compounds and their underlying mechanisms of action that drive the anti-cancer and anti-inflammatory properties of Hibiscus sabdariffa extracts.
We searched databases for publications in English from all years that reported beneficial anti-inflammation and anti-cancer properties from Hibiscus sabdariffa extracts and their proposed mechanism of action. We used PubMed Google Scholar Scopus and ScienceDirect for original articles that included different Hibiscus sabdariffa extracts evaluated for their anti-inflammation and anti-cancer properties using the following search terms: “H. sabdariffa” “H. sabdariffa extracts” “H. sabdariffa and inflammation” and “H. sabdariffa and cancer”. Some articles from the reference list were used to collect additional information and we used 73 articles in total.
In general extracts from Hibiscus sabdariffa are obtained by different methods that affect the final concentration of the compounds. Several in vivo and in vitro experiments show their anti-inflammatory and anti-cancer properties.
Hibiscus sabdariffa extracts have the potential bioactivity to modulate inflammation and cancer in several cellular and molecular mechanisms of action involving the downregulation of key signaling pathways such as NFκB MAPK BCL-2 p53 among others and the upregulation of protective pathways such as Nrf2. However research needs to be further evaluated on the exact compounds that have this effect in order to know if the extracts work individually or synergistically.
Lavender Oil: A Versatile Natural Therapeutic – Extraction, Composition, Applications, and Innovative Formulation Strategies
The present review comprehensively explores an overview of a versatile essential oil from genus Lavandula. Oil finds wide application in the aromatherapy and cosmetic industry. This paper emphasizes the chemical constituents of the oil that are responsible for the diverse therapeutic applications. Various extraction techniques such as steam distillation hydro distillation supercritical liquid extraction and ultrasound assisted extraction are discussed. Also the article elucidates the mechanism of action that explains the therapeutic application of the oil in microbial infections oxidative stress and neurodegenerative diseases. This review also extensively discusses the preclinical and clinical studies of the use of the oil for the management or treatment of psoriasis depression wound anxiety Alzheimer’s disease myocardial infarction acute lung injury and acute inflammation. Additionally the article highlights granted patents and the novel formulation strategies such as hydrogels nanofibers emulsions and nanoparticles used to enhance the bioavailability and the targeted delivery of the oil. The review also provides future perspectives emphasizing the need for further research for harnessing the potential of lavender oil.
Natural Products: A Promising Avenue for Aquaporin-targeted Drug Discovery
Aquaporins are one of the important but challenging targets in drug discovery. They are of great interest owing to their diverse physiological roles in health and diseases and their broad tissue distribution. However there has been little progress so far in this quest and some have started to doubt whether AQPs are druggable at all.
The Web of Science Core Collection database was used to extract all the literature with different combinations of keywords: “aquaporin” “compound” and “natural” from 2013 until 2024. The quality of each publication was further assessed.
The identified natural compounds can be divided into three categories: 1) compounds that regulate AQP expression 2) AQP inhibitors and 3) inhibitors of AQP-protein interactions. Overall most reported natural product-based AQP modulators are of terpenoid polyphenolic and polysaccharide origin.
Essential challenges in AQP drug development seem to be difficult in modeling selective inhibitors and a lack of robust and reliable in vitro and in vivo assays. Numerous studies report natural products modulating AQPs at the expression level directly inhibiting AQPs and disturbing their interaction with other intracellular proteins. Since direct targeting of AQPs has not yielded promising results using natural products as AQP modulators could be a new possibility.