journal
https://read.qxmd.com/read/38058088/in-silico-tools-to-thaw-the-complexity-of-the-data-revolutionizing-drug-research-in-drug-metabolism-pharmacokinetics-and-toxicity-prediction
#21
JOURNAL ARTICLE
Hema Sree Kommalapati, Pushpa Pilli, Vijaya Madhyanapu Golla, Nehal Bhatt, Gananadhamu Samanthula
In silico tool is the flourishing pathway for Researchers and budding chemists to strain the analytical data in a snapshot. Traditionally, drug research has heavily relied on labor-intensive experiments, often limited by time, cost, and ethical constraints. In silico tools have paved the way for more efficient and cost-effective drug development processes. By employing advanced computational algorithms, these tools can screen large libraries of compounds, identifying potential toxicities and prioritizing safer drug candidates for further investigation...
December 6, 2023: Current Drug Metabolism
https://read.qxmd.com/read/38008947/the-impact-of-certain-pharmacogenetic-differences-on-the-metabolism-of-antiretroviral-drugs-used-in-a-black-south-african-population
#22
JOURNAL ARTICLE
Riaan Reay, Michelle Viljoen, Malie Rheeders
BACKGROUND: Genetic polymorphism of drug-metabolising enzymes and transporters may influence the effect and toxicity of antiretroviral drugs. OBJECTIVES: To determine and compare the minimum allele frequency of 20 single nucleotide polymorphisms (SNPs) with possible involvement in the metabolism of the antiretroviral drugs with other populations. To investigate the influence of these variants on Reverse transcriptase, Protease and Integrase strand transfer inhibitor drugs...
November 24, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37927072/evaluation-of-supervised-machine-learning-algorithms-and-computational-structural-validation-of-single-nucleotide-polymorphisms-related-to-acute-liver-injury-with-paracetamol
#23
JOURNAL ARTICLE
Kannan Sridharan, Ambritha Balasundaram, Thirumal Kumar D, George Priya Doss C
AIMS: To identify single nucleotide polymorphisms (SNPs) of paracetamol-metabolizing enzymes that can predict acute liver injury. BACKGROUND: Paracetamol is a commonly administered analgesic/antipyretic in critically ill and chronic renal failure patients and several SNPs influence the therapeutic and toxic effects. OBJECTIVE: To evaluate the role of machine learning algorithms (MLAs) and bioinformatics tools to delineate the predictor SNPs as well as to understand their molecular dynamics...
November 3, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37936469/crocin-ameliorates-diabetic-nephropathy-through-regulating-metabolism-cyp4a11-ppar%C3%AE-and-tgf-%C3%AE-smad-pathways-in-mice
#24
JOURNAL ARTICLE
Wei Chen, Jinhao Su, Yubin Liu, Tianmei Gao, Xiaohui Ji, Hanzhou Li, Huajun Li, Yuansong Wang, Hui Zhang, Shuquan Lv
INTRODUCTION: Crocin is one of the main components of Crocus sativus L. and can alleviate oxidative stress and inflammation in diabetic nephropathy (DN). However, the specific mechanism by which crocin treats DN still needs to be further elucidated. METHOD: In the present study, a mouse model of DN was first established to investigate the therapeutic effect of crocin on DN mice. Subsequently, non-targeted metabolomics techniques were used to analyze the mechanisms of action of crocin in the treatment of DN...
November 2, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37921161/differential-pharmacokinetic-interplay-of-atorvastatin-on-lacosamide-and-levetiracetam-on-experimental-convulsions-in-mice
#25
JOURNAL ARTICLE
Jayaraman Rajangam, Arun Prasath Lakshmanan, Narahari N Palei, Karthikeyan Elumalai, Muddukrishnaiah Kotakonda, R Prakash, P Latha
BACKGROUND: The beneficial effects of statins, other than their hypocholesterolemia role, have been well documented, however, their use as an adjuvant drug with other antiseizure drugs, in the treatment of epilepsy is poorly understood. OBJECTIVE: This study aimed to investigate the symbiotic effect of ATOR along with either lacosamide (LACO) or levetiracetam (LEVE) on experimentally induced epilepsy (Maximal electro-shock-MES or pentylenetetrazol- PTZ) in mice models...
October 25, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37916628/nrf2-regulates-the-expression-of-cyp2d6-by-inhibiting-the-activity-of-kr%C3%A3-ppel-like-factor-9-klf9
#26
JOURNAL ARTICLE
Ferbian Milas Siswanto, Rita Dewi Firmasyah, Maria Dara Novi Handayani, Ami Oguro, Susumu Imaoka
AIMS: The aim of the present study is to gain insight into the biology of Parkinson's disease (PD) and cancer to drive translational advances enabling more effective prevention and/or potential treatments. BACKGROUND: The expression of Cytochrome P450 2D6 (CYP2D6) is correlated with various diseases such as PD and cancer; therefore, exploring its regulatory mechanism at transcriptional levels is of interest. NF-E2-related factor 2 (Nrf2) has been known to be responsible for regulating phase II and phase III drug-metabolizing genes...
October 24, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37842900/comprehensive-investigation-of-the-influence-of-high-altitude-hypoxia-on-clopidogrel-metabolism-and-gut-microbiota
#27
JOURNAL ARTICLE
Juanhong Zhang, Yuemei Sun, Jiaxin He, Guofan Wu, Rong Wang, Junmin Zhang
BACKGROUND: The amount of metabolites converted into active metabolites is correspondingly reduced since only more than 50% of clopidogrel is absorbed. OBJECTIVE: Exploring the effect of gut microbiota altered by altitude hypoxia on the pre-absorption metabolism of clopidogrel. METHODS: In vitro and in vivo experiments were conducted to analyze the metabolism of clopidogrel through LCMS/MS, while 16S rRNA analysis was used to investigate the changes in the gut microbiota of high-altitude animals...
October 11, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37881073/pharmacokinetics-and-tissue-distribution-of-isovitexin-2-o-%C3%AE-d-glucopyranoside-ivg-in-sprague-dawley-rats
#28
JOURNAL ARTICLE
Xiaotong Zhao, Leilei Fang, Tan Yang, Yanqing Zhang, Junbo Xie
BACKGROUND: Isovitexin-2"-O-D-glucopyranoside (IVG) has been known to exhibit sedative and hypnotic effects. However, there is little understanding of the in vivo pharmacokinetics and tissue distribution of IVG. OBJECTIVE: This study aimed to investigate the pharmacokinetics and tissue distribution of IVG. METHODS: The study employed an HPLC-ESI-MS/MS method to analyze the pharmacokinetics and tissue distribution of IVG. RESULTS: Under mass spectrometry, IVG and internal standard (IS) showed strong negative ionization signals...
October 9, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37779408/artificial-intelligence-in-drug-formulation-and-development-applications-and-future-prospects
#29
JOURNAL ARTICLE
Noorain, Varsha Srivastava, Bushra Parveen, Rabea Parveen
Artificial Intelligence (AI) has emerged as a powerful tool in various domains, and the field of drug formulation and development is no exception. This review article aims to provide an overview of the applications of AI in drug formulation and development and explore its future prospects. The article begins by introducing the fundamental concepts of AI, including machine learning, deep learning, and artificial neural networks and their relevance in the pharmaceutical industry. Furthermore, the article discusses the network and tools of AI and its applications in the pharmaceutical development process, including various areas, such as drug discovery, manufacturing, quality control, clinical trial management, and drug delivery...
September 28, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37711113/the-influence-of-atorvastatin-amlodipine-and-ethoxidol-on-ubiquinol-and-ubiquinone-endogenous-plasma-concentrations-in-patients-with-chronic-heart-failure
#30
JOURNAL ARTICLE
Vladlena I Zozina, Svetlana N Kondratenko, Evgenia V Shikh, Liudmila M Krasnykh, Evgeny S Melnikov, Vladimir G Kukes
BACKGROUND: Coenzyme Q10 is a key component of the mitochondrial respiratory chain and a fat-soluble endogenous antioxidant performing many vital functions in the human body. Many researchers studied the plasma concentrations of ubiquinol, ubiquinone, total CoQ10 and the redox state (ubiquinol/ubiquinone ratio) of CoQ10 in healthy volunteers. However, these parameters in the plasma of patients with chronic heart failure (CHF) remain almost uninvestigated. OBJECTIVE: The aim of this case-control study was to investigate the effect of atorvastatin, amlodipine and ethoxidol on endogenous plasma concentrations of ubiquinol, ubiquinone, total CoQ10 and its redox state in patients with CHF...
September 13, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37691197/which-can-predict-the-outcome-of-antidepressants-metabolic-genes-or-pharmacodynamic-genes
#31
JOURNAL ARTICLE
Nan Zheng, Menxi Niu, Yan-Nan Zang, Hong Yan Zhuang, Fei Jia, Shuang Bao, Shan-Shan Liu
Drug therapy is the primary modality for depression; however, its outcome is often unpredictable, ranging from beneficial effects to serious adverse effects. Genetic variations in drug metabolizing enzymes and pharmacodynamic molecules are responsible for a considerable proportion of interindividual differences in the effectiveness and toxicity of antidepressants. For the improvement in the use of antidepressants, the focus is mainly on personalized treatment emphasizing interindividual differences in genes...
September 7, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37592800/preclinical-pharmacokinetics-and-cyp-modulation-activity-of-chebulinic-acid-a-potent-molecule-against-metabolic-disease
#32
JOURNAL ARTICLE
Arpon Biswas, Sarvesh Kumar Verma, Shiv Kumar, Tripti Mishra, Mukesh Kumar, Abhijit Deb Choudhury, Sristi Agrawal, Sachin Nashik Sanap, Amol Chhatrapati Bisen, Anjali Mishra, Tadigoppula Narender, Rabi Sankar Bhatta
BACKGROUND: Chebulinic acid (CA) is an active constituent of Terminalia chebula fruits with therapeutic potential against multiple metabolic diseases, including dementia, benign prostate hyperplasia, and osteoporosis. OBJECTIVE: The present work intends to explore the preclinical pharmacokinetics, including the absolute bioavailability of CA and its influence on the gene expression of cytochrome P450 enzymes in the liver. METHODS: Quantifying CA and probe drugs in vitro samples and preclinical serum samples of male SD rats were performed using LC-MS/MS...
August 17, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37592799/herbal-medicines-as-adjuvants-for-the-treatment-of-chemotherapy-induced-diarrhea
#33
JOURNAL ARTICLE
Zicong Zheng, Songpol Srinual, Jie Chen, Li Li, Ting Du, Ming Hu, Rongjin Sun, Song Gao
BACKGROUND: Chemotherapeutic drugs used in cancer treatment often result in gastrointestinal toxicity, notably diarrhea, impacting patients' quality of life. Complementary and Alternative Medicine (CAM) has garnered increasing interest as an alternative to conventional approaches as a potential solution for managing chemotherapy-induced diarrhea (CID). OBJECTIVE: To summarize current research focusing on herbal medicines as adjuvant therapy to prevent or treat chemotherapy-induced diarrhea, including clinical assessments, mechanism of actions, active components, and potential pharmacokinetic interactions between herbal medicines and chemotherapeutic drugs...
August 17, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37592798/in-vivo-metabolism-of-nifurtimox-and-the-drug-drug-interaction-potential-including-its-major-metabolites
#34
JOURNAL ARTICLE
Simone I Schulz, Dieter Lang, Gabriele Schmuck, Michael Gerisch, Michaela Bairlein, Robert Fricke, Heino Stass
BACKGROUND: Nifurtimox is an effective treatment for patients with Chagas disease, but knowledge of its biotransformation and excretion is limited. OBJECTIVE: This study aimed to better understand the role of oral nifurtimox in vivo. METHODS: We investigated the exposure and excretion pathways of [14C]-labeled nifurtimox and its metabolites in rats. We then quantified the prominent metabolites and nifurtimox in the urine and plasma of patients receiving nifurtimox using LC-HRMS with reference standards and quantified these compounds in rat plasma after a single, high dose of nifurtimox...
August 17, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37559536/comparative-analysis-of-pharmacokinetics-and-metabolites-of-three-main-terpenoids-before-and-after-compatibility-of-frankincense-and-myrrh-in-rats-by-uhplc-ms
#35
JOURNAL ARTICLE
Ruo-Ying Fan, Ru-Meng Gao, Jia-Shang Li, Shu-Lan Su, Er-Xin Shang, Da-Wei Qian, Jin-Ao Duan
BACKGROUND: 3-acetyl-11-keto-beta-boswellic acid (AKBA) and 11-keto-boswellic acid (KBA) are the main active components of frankincense as pentacyclic triterpenoids, which are designated by the European Pharmacopoeia 8.0 as the quality standard for the evaluation of Indian frankincense, 2-methoxy-8,12-epoxygermacra-1(10),7,11-trien-6-one (MCS134) is a non-volatile sesquiterpene compound in myrrh. OBJECTIVE: In this paper, the absorption pharmacokinetics and metabolites of AKBA, KBA and MCS134 after frankincense, myrrh and their compatibility were analyzed, elaborated their absorption and metabolism mechanism and provided the ideas for the research on the bioactive components of frankincense and myrrh compatibility in vivo...
August 8, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37519199/a-mini-review-on-recent-strategies-and-applications-of-nanomedicines-to-combat-antimicrobial-resistance
#36
JOURNAL ARTICLE
Kanak Chahar, Yash Sharma, Preeti Patel, Vivek Asati, Balak Das Kurmi
One of the key factors contributing to mortality and morbidity globally is infectious ailments. According to recent statistics from WHO, amplified antimicrobial resistance occurrence among bacteria signifies the utmost threat to global public health. Bacteria have developed various strategies to resist antimicrobials, including enzymatic inactivation of antibiotics, drug efflux, modifications of the antibiotic molecule or chemical alteration of the antibiotic, limited drug uptake, etc. Furthermore, the inefficiency of antimicrobial drugs against resistant bacteria due to low solubility, instability, and associated side effects augments challenges to combat these resistant pathogens...
July 31, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37519003/covalent-modification-of-proteins-by-osthole-reactive-metabolites-using-proteomic-approaches
#37
JOURNAL ARTICLE
Yue Zhuo, Huiling Chen, Chenchen Liu, Yida Zhang, Jiansong Fang, Meng Li, Zhendong Wang, Qiyao Jiang, Liangwen Yu, Huafeng Pan, Qi Wang
BACKGROUND: Osthole (OST) is a bioactive natural coumarin derived from the plant Cnidium monnieri (L.) Cusson fruit (She Chuang Zi), which has various pharmacological and biological activities. OST contains an α,β-unsaturated lactone, which is an electrophilic group that tends to be metabolized into reactive metabolites (RMs). Then, RMs are able to covalently modify nucleophilic amino acid (AA) residues of target proteins. However, few researchers considered the contribution of the covalent modification induced by OST or its metabolites...
July 27, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37497705/worldwide-prevalence-of-polypharmacy-a-systematic-review
#38
JOURNAL ARTICLE
Beatriz Dias Januário, Natália Silva Mafra, Humberto de Souza Silva, Isabella Monteiro Carvalho, Ana Luiza Sobreira Sena, Ana Paula Gomes Soares Pereira, Newton Santos de Faria Júnior, Helton Oliveira Campos
INTRODUCTION: The present study has compiled the prevalence of polypharmacy worldwide and assessed the prevalence of polypharmacy in different populations, including community-dwelling individuals, hospitalized patients, and institutionalized patients. METHODS: This systematic review was conducted and reported according to the guidelines outlined in the Preferred Reporting Items for Systematic Reviews and Meta-Analysis (PRISMA) statement. A systematic search of electronic databases, including PubMed, Web of Science, and Scielo, was performed in March 2021 without any date and language restrictions...
July 27, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37431900/synthesis-and-biomedical-applications-of-dna-hydrogel
#39
JOURNAL ARTICLE
Qi Zhang, Shiyu Lin, Junyu Shi
Deoxyribonucleic acid (DNA), as a natural polymer material, carries almost all the genetic information and is recognized as one of the most intelligent natural polymers. In the past 20 years, there have been many exciting advances in the synthesis of hydrogels using DNA as the main backbone or cross-linking agent. Different methods, such as physical entanglement and chemical cross-linking, have been developed to perform the gelation of DNA hydrogels. The good designability, biocompatibility, designable responsiveness, biodegradability and mechanical strength provided by DNA building blocks facilitate the application of DNA hydrogels in cytoscaffolds, drug delivery systems, immunotherapeutic carriers, biosensors and nanozyme-protected scaffolds...
July 10, 2023: Current Drug Metabolism
https://read.qxmd.com/read/37409552/pharmacokinetics-mass-balance-tissue-distribution-and-metabolism-of-3h-catalpol-in-rats-the-main-bioactive-component-of-rehmannia-glutinosa-for-the-treatment-of-ischemic-stroke
#40
JOURNAL ARTICLE
Xinyu Ge, Yuandong Zheng, Yifei He, Chong Chen, Chen Yang, Saiwei Lu, Zhenyu Xuan, Dafang Zhong, Xingxing Diao
BACKGROUND: Catalpol, one of the main bioactive components isolated from Rehmannia glutinosa, was developed by Suzhou Youseen for the treatment of ischemic stroke; however, preclinical information about its absorption, distribution, metabolism, and excretion (ADME) in animals is inadequate. OBJECTIVE: This study aimed to illuminate the pharmacokinetics (PK), mass balance (MB), tissue distribution (TD), and metabolism of catalpol after a single intragastric administration of 30 mg/kg (300 μCi/kg) [3H]catalpol in rats...
July 5, 2023: Current Drug Metabolism
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