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Letters in Drug Design & Discovery - Online First
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41
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21 - 40 of 41 results
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Preparation and Evaluation of Ni/NiAl2O4 Core/Shell Nanostructures in Non-ionic Surfactant-based Vesicle
Authors: Abbas Pardakhty, Peyman Rajaei, Mehdi Ranjbar and Mandana OhadiAvailable online: 16 December 2024More LessBackground Non-ionic surfactant-based vesicles (niosomes) as coherent and self-organization capability structures form organized core/shell nanostructures. Objective In this academic research, Ni/NiAl2O4 core/shell nanostructures were successfully synthesized with the ultrasound-assisted direct micelle (UADM) method and these structures were used as a delivery system for minoxidil drugs. Method The synthesis c Read More
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The Inhibitory Effect and Mechanism of Action of Myricaria germanica Essential Oils on Skin Inflammation Based on Network Pharmacology and Molecular Docking
Authors: Likuan Liu, Mingjin Wang, Junyan Zhang, Wenqing Chen, Wenming Zuo, Yang Zeng and Jinping LiAvailable online: 13 December 2024More LessBackground Currently, network pharmacology and molecular docking technology are valuable tools frequently employed to predict the mechanisms and targets of drugs. Wengbu, a Tibetan medicine, is an anti-inflammatory agent commonly used in the Qinghai-Tibet Plateau of China, and it has been demonstrated to have an effect against skin inflammation. However, the network pharmacological mechanisms a Read More
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Pros and Cons of Cardiovascular Herbal Therapy: Molecular Docking, ADMET, Physiological and Pharmacological Significance
Available online: 13 December 2024More LessIntroduction For a long period, traditional medicine has held a crucial role in maintaining cardiovascular homeostasis. However, very few scientific studies have investigated and reported information on the mechanism by which these plants act through their active ingredients. Presently, there is consideration for utilizing computer-assisted methods to incorporate predictive and dependable data in addition to experimental findings Read More
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Exploration of the Potential Mechanism of Sedum sarmentosu Bunge in the Treatment of Hepatic Fibrosis Based on Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation
Authors: Wenfei He, Yao Tang, Jialin Chen, Yu Chai, Lingyue Xiong and Wanqi ZhangweiAvailable online: 13 December 2024More LessBackground Sedum sarmentosu Bunge (SSB), a perennial herb, exhibits notable therapeutic effects on hepatic fibrosis (HF). However, the mechanism of treatment has not been fully determined. Objective The objective of this study is to explore the active components in SSB and investigate its molecular mechanism of action in the treatment of HF based on network pharmacology, molecular docking, and molecul Read More
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Enhancing Renal Autophagy via Yangshen Paidu Decoction: AMPK/mTOR Pathway Modulation in Chronic Renal Failure Management
Authors: Hao Tang, Qi Tao, Yifan Li, Xiaohui Bai, Dan Lv, Fang Wang, Ronghua Pan and Yanmei ZhaoAvailable online: 29 November 2024More LessObjective Chronic Renal Failure (CRF) refers to the gradual decline in renal function caused by various chronic kidney diseases, eventually leading to end-stage renal failure. Yangshen Paidu Decoction (YPD) is a Traditional Chinese medicine (TCM) formula utilized in CRF treatment. This work has analyzed the effects of YPD on CRF and the specific mechanism. Methods Network pharmacology was performed to screen effective co Read More
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Cornus mas (Cornelian Cherry) Exerts Neuroprotective Effects on Cerebral Ischemia/Reperfusion Injury via Anti-Inflammatory and Antioxidant Properties
Authors: Samira Asgharzade, Masih Ameri and Maryam AnjomshoaAvailable online: 29 November 2024More LessBackground Stroke is one of the most important causes of mortality and disability in the world. Over 80% of strokes are ischemic, resulting from blockages in cerebral arteries. Increasing evidence suggests that enriching the diet with nutritional antioxidants could decrease brain damage and enhance cognitive function. Cornelian cherry has anti-inflammatory and antioxidant properties and is introduced as a potential source of Read More
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Advances in Isatin-derived Compounds for Modern Cancer Therapy: A Comprehensive Review
Authors: Sakshi Gupta, Ashish Joshi, Pramod Kumar Sharma and Dharmendra KumarAvailable online: 29 November 2024More LessIsatin 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
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An Insight into Signalling Pathways in Cancer: Hedgehog, PI3K, and Notch Pathways and Therapeutic Perspectives
Available online: 29 November 2024More LessDysregulation 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
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Mechanism of Pyroptosis in Postoperative Cognitive Dysfunction Rats and α7-nicotinic Receptor Agonist Regulating NLRP3 Inflammasome Activation
Authors: Yuan Ge, Lei Ming, Dedong Xu and Sanaullah SajidAvailable online: 22 November 2024More LessBackground This study investigates the efficacy of α7-nicotinic acetylcholine receptor (α7nAChR) agonists in mitigating postoperative cognitive dysfunction (POCD) in a rat model. This investigation aimed to elucidate the therapeutic potential of α7nAChR agonists in modulating neuroinflammatory pathways to improve cognitive outcomes post-surgery. Objective Serum levels of pro-inflammatory cytokines IL-1β a Read More
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Bioinformatic Analysis and Molecular Docking to Elucidate the Anticancer Effect of Silver Nanoparticles in Hepatocellular Carcinoma
Available online: 22 November 2024More LessBackground Hepatocellular 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). Aims Characterize the effect Read More
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Lidocaine Induces Neurotoxicity by Activating the CaMKII and p38 MAPK Signaling Pathways through an Increase in Intracellular Calcium Ions
Authors: Qian Ma, Meng Wang, Bin Zhang, Danting Jia and Xuexin ChenAvailable online: 22 November 2024More LessBackground Lidocaine 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. Objective This study aimed to investigate the mechanisms through which lidocaine induces neurotoxicity, focusing on its effects on intracellular calcium relea Read More
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Exploring the Molecular Basis of Anticancer Activity in Various Moss Species Against Colorectal Cancer Cells
Authors: İpek Ceylan, Dilşad Özerkan, Nuray Emin, Ilgaz Akata and Ergin Murat AltunerAvailable online: 14 November 2024More LessBackground Mushrooms 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. Objective In this study, the effects of extracts from Hericium coralloides (M1), Lactarius deliciosus (M2), Lepista nuda (M3), Pleurotus ostreatus (M4), and Suillus collitinus (M5) together on HCT116 were investigated. Read More
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A Systemic Review on Phytochemicals and Novel Approaches for the Management of Hepatic Cancer
Authors: Zulfa Nooreen, Fariha Sumayya, Pranay Wal, Chirag Goda, Mohd Imran and Amin GasmiAvailable online: 14 November 2024More LessIntroduction Hepatic 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 exp Read More
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Molecular Mechanism of Finerenone in Treating Diabetic Nephropathy Based on Bioinformatics
Authors: Lin Mengshu, Lu Meiqi, Chen Yixuan and Gao QingAvailable online: 14 November 2024More LessBackground Diabetic 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
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Unlocking Neuraminidase Inhibitors: Insights from Natural Products through Pharmacophore Modeling, Virtual Screening, and Molecular Docking
Authors: Huda Mando and Nathalie MoussaAvailable online: 08 November 2024More LessBackground Neuraminidase 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. Objective In this study, we tried to shed light Read More
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A Review on Biological Activity of Quinoline-based Hybrids
Authors: Nguyen Bao Chau and Tran Khac VuAvailable online: 08 November 2024More LessThe 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
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Exploring Novel Benzopyran Derivatives as Antitubercular Agents
Available online: 04 November 2024More LessBackground Tuberculosis (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. Objective The aim of this study was to combine two scaffolds; one is coumarin (benz Read More
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Synthesis of New Xanthene and Acridine Derivatives from Cyclohexan-1,3-dione and the Study of their Antiproliferative Activities
Authors: Rehab A. Ibrahim and Rafat M. MoharebAvailable online: 29 October 2024More LessBackground Ionic 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. Objective The aim of this study was to synthesize novel xanthene and acridine derivatives with diverse substituents and heterocyclic rings. Furthermore, the r Read More
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A Network Pharmacology Study on Mechanism of Total Flavonoids of Hippophae Rhamnoides in Treating Allergic Dermatitis via Regulation of IL-17 Signaling Pathways
Authors: Lun Wu, Jinsuo Zhou, Xingyu Guo, Yongqiang Du, Shanshan Li, Wenting Yu, Huinan Bu and Wencheng ChiAvailable online: 25 October 2024More LessObjective This 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. Methods The 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
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A Novel Drug Delivery Platform Against Bacterial Resistance: Synthesis and Characterization of Ciprofloxacin-loaded MCM-41 Mesoporous Silica Nanoparticle
Available online: 16 October 2024More LessBackgrounds Advances 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
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