Letters in Drug Design & Discovery - Volume 21, Issue 18, 2024

The quinoline scaffold has gained attention for its potential applications in organic synthesis and the medical field.The objective has been to identify quinoline-based hybrids with a range of biological activities, including as anti-tuberculosis, anti-cancer, antimalarial, anti-inflammatory, anti-Alzheimer's, antibacterial, and antidiabetic properties. This review provides a critical overview and highlights the latest development of q Read More

Isatin has garnered significant interest due to its wide range of pharmacological activities, including anti-inflammatory, anti-HIV, anticancer, antioxidant, antimicrobial, and antifungal properties. As a natural compound found in both humans (as a metabolic derivative of adrenaline) and plants (melastatin), its unique structure, with carbonyl groups at positions 2 and 3 and an NH group at position 1, makes it a valuable sca Read More

Dysregulation of cellular signaling pathways leads to changes in proliferation, differentiation, and apoptosis, leading to cancer. This review aims to provide insight into the major three signaling pathways implicated in cancer development and progression: the Hedgehog (Hh), Phosphoinositide 3-kinase (PI3K), and Notch pathways. Abnormal activation of the Hedgehog pathway, which has been linked to several malignancies, inclu Read More

This comprehensive review delves into the medicinal chemistry of amidoxime and 1,2,4-oxadiazole scaffolds. These scaffolds have been modified to address bacterial infections, malaria, inflammation, Alzheimer's disease, and cancer, yielding novel lead compounds with significant therapeutic potential. The review scrutinizes recently developed bioactive candidates, highlighting their antibacterial and anti-biofilm properties thro Read More

BackgroundHypertension, a major risk factor for cardiovascular disease, is often managed with antihypertensive drugs. Medicinal plants are commonly used to control hypertension, and many studies assess their antihypertensive effects using the rat mesenteric vascular bed model.ObjectiveThis paper aims to highlight the value of the rat mesenteric vascular bed as a pharmacological model for evaluating the Read More

Artificial Intelligence (AI), due to digitalization, has recently conquered the healthcare disciplines. AI has substantially progressed in healthcare and medical research for preventive, predictive, and personalized care. AI will continue to become the ultimate healthcare-effective tool for serious ailments requiring the early detection of rebuttal. It is a fast-growing automated system based on algorithms positioned to benefit patie Read More

IntroductionHepatic cancer, an aggressive tumour that often develops along with cirrhosis and chronic liver disease like infections with the hepatitis B and hepatitis C viruses, while non-alcoholic steatohepatitis, is linked to metabolic syndrome or diabetes mellitus. It is the third most prevalent cause of cancer-related mortality globally and ranks fifth in cancer incidence. According to GLOBOCON, the prevalence is expected to ri Read More

ObjectBenzoinum is a traditional Chinese medicine used to treat ischemic stroke. However, the mechanism of action of benzoinum for treating ischemic stroke still remains unclear. This study aims to elucidate the mechanism of benzoinum for treating ischemic stroke based on network pharmacology and molecular docking, which will explore its key targets and provide a basis and new treatment ideas for its clinical appli Read More

BackgroundLysine-specific histone demethylase 1 (LSD1) is a well-known anti-cancer target for drug discovery. Novel reversible inhibitors of LSD1 are desirable to be developed.ObjectiveThis study aimed to build reliable predictive models to evaluate the antineoplastic efficacy of compounds and reveal the structural foundation underlying the inhibitory activity of LSD1.MethodsMultiple artificial intelligence algorithms were utiliz Read More

BackgroundThymidine kinase 2 (TK2) is a crucial enzyme in the mitochondrial pyrimidine salvage pathway, strongly associated with several mitochondrial diseases. Current treatments frequently damage mitochondria, leading to a decrease in cellular energy output.ObjectiveThis study aimed to use computational approaches to identify inhibitors of TK2 that could prevent these harmful consequences.MethodsThe initial Read More

BackgroundEnzymes belonging to the kinase family have been extensively implicated in cancer. Aurora A (AURKA) is crucial in regulating the cell cycle. AURKA's significant role in the formation of abnormal mitotic spindles and the failure of cytokinesis positions it as a promising target for anticancer treatments. Notably, AURKA is observed to be overexpressed in various cancer types, making its inhibition a compelling strat Read More

BackgroundsAdvances in nanotechnology have revealed innovative applications in pharmaceutical sciences to solve unmet medical needs. Over the past decades, antibiotic resistance has emerged as a global concern. This catastrophic phenomenon, with a rapid increase in frequency, indicates the urgent need for the introduction of new approaches. In this respect, as a class of inorganic nanomaterials, mesoporous sili Read More

BackgroundTuberculosis (TB) remains a significant global health concern, necessitating the exploration of novel therapeutic agents. Reported antitubercular activities of previously synthesized benzopyran and other oxygen-containing heterocycles motivate us to synthesize and evaluate the antitubercular potential of benzopyran derivatives.ObjectiveThe aim of this study was to combine two scaffolds; one is coumarin (benzo Read More

ObjectiveThis study aims to investigate the active ingredients and potential mechanisms of Total Flavonoids of Hippophae (TFH) in the treatment of Allergic Dermatitis (AD) using network pharmacology and molecular docking.MethodsThe effective components and targets of TFH were identified using the TCMSP, PubChem, and Pharmmapper databases. AD-related targets were screened through GeneCards, OMIM, and TTD data Read More

BackgroundIonic immobilized liquids and multi-component reactions are integral to green chemistry, facilitating the synthesis of biologically active compounds, such as xanthene and acridine derivatives. These approaches have garnered significant attention in recent years.ObjectiveThe aim of this study was to synthesize novel xanthene and acridine derivatives with diverse substituents and heterocyclic rings. Furthermore, the r Read More

BackgroundNeuraminidase enzyme plays a major role in the life cycle of influenza viruses. Targeting neuraminidases is a key strategy in preventing and treating influenza A and B spread by inhibiting the release of new viral particles from infected cells. Developing new neuraminidase inhibitors with enhanced efficacy and reduced risk of resistance is the ultimate of ongoing research.ObjectiveIn this study, we tried to shed light o Read More

BackgroundMushrooms are shown to protect against the side effects of cancer. Therefore, mushrooms with proven anticancer properties and active ingredients are fascinating in the search for new cancer drugs.ObjectiveIn this study, the effects of extracts from Hericium coralloides (M1), Lactarius deliciosus (M2), Lepista nuda (M3), Pleurotus ostreatus (M4), and Suillus collinitus (M5) together on HCT116 were investigated. Read More

BackgroundDiabetic Nephropathy (DN) is the leading cause of the end-stage renal disease (ESRD). Finerenone (with the molecular formula C21H22N4O3) is an oral non-steroidal mineralocorticoid antagonist (ns-MRA) that is both highly potent and has strong selectivity for the MR. At present, it has been used to treat DN. However, the molecular mechanism of finerenone in the treatment of diabetic nephropathy remai Read More

BackgroundHepatocellular carcinoma is the cancer with the highest mortality rate worldwide. Currently, existing treatments are not very effective for this disease. Different science areas have focused on developing new therapies, including nanomedicine. In-vitro studies have reported the anticancer activity of silver nanoparticles, particularly those coated with polyvinylpyrrolidone (AgNPs-PVP).AimsCharacterize the effect o Read More

BackgroundLidocaine is extensively utilized as an anesthetic in clinical settings; however, it has demonstrated significant neurotoxicity when administered for spinal anesthesia. The specific mechanisms underlying lidocaine-induced neurotoxicity are poorly understood.ObjectiveThis study aimed to investigate the mechanisms through which lidocaine induces neurotoxicity, focusing on its effects on intracellular calcium relea Read More