Article
Food Science & Technology
Icaro Salgado Perovani, Maike Felipe Santos Barbetta, Rodrigo Moreira da Silva, Norberto Peporine Lopes, Anderson Rodrigo Moraes de Oliveira
Summary: The demand for food worldwide has led to an increase in pesticide use. The fungicide Prothioconazole (PTC) is metabolized in the human body to form Prothioconazole-desthio (D-PTC). This study investigated the in vitro metabolism of PTC to D-PTC in human liver microsomes and found an enantioselective behavior. The CYP2C19 enzyme was identified as the main catalyst for PTC metabolism, and the formation of D-PTC was found to be limited.
FOOD AND CHEMICAL TOXICOLOGY
(2022)
Article
Agriculture, Multidisciplinary
Zhen Wang, Rui Li, Qiqi Wu, Jinsheng Duan, Yuting Tan, Xiaofang Sun, Rou Chen, Haiyan Shi, Minghua Wang
Summary: This study investigated the enantioselective metabolism and potential mechanisms of PYD in mammals using in vitro and in silico methods. The results showed that S-PYD metabolized faster than R-PYD in rat liver microsomes, and CYP3A1 and carboxylesterase 1 were identified as major enzymes involved in the metabolism of PYD. Computational results further revealed that S-PYD bound more tightly to CYP3A1 and carboxylesterase 1 with lower binding free energy compared to R-PYD, explaining the mechanism of enantioselective metabolism. Nine phase I metabolites of PYD were identified, and the metabolic pathways of PYD were speculated.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Article
Food Science & Technology
Yu Yuan, Guangpeng Meng, Yuanbo Li, Chunjie Wu
Summary: This study evaluated the distribution, metabolism, and pharmacokinetic profile of Beauvericin (BEA). The results showed that BEA was metabolically stable in human and rat liver microsomes and hepatocytes, but exhibited strong inhibition of CYP3A4 and CYP2C19 activities in human liver microsomes. The absolute bioavailability of BEA was calculated to be 29.5% through oral and intravenous administration.
Article
Biochemistry & Molecular Biology
Icaro Salgado Perovani, Jade Lorena Mariano Bucci, Daniel Blascke Carrao, Maike Felipe Santos Barbetta, Rodrigo Moreira da Silva, Norberto Peporine Lopes, Anderson Rodrigo Moraes de Oliveira
Summary: Ethofumesate, a chiral herbicide, and its main metabolite ethofumesate-2-hydroxy may exhibit enantioselective inhibition of CYP2C19. The study found that (-)-ethofumesate showed nearly twice the inhibition potency towards CYP2C19 compared to (+)-ethofumesate.
CHEMICO-BIOLOGICAL INTERACTIONS
(2021)
Article
Biochemistry & Molecular Biology
Dong Guo, Rujian He, Wenxia Su, Chun Zheng, Weiguang Zhang, Jun Fan
Summary: This study investigated the stereochemistry of uniconazole enantiomers and their metabolism in rat liver microsomes. Through vibrational circular dichroism spectroscopy and chiral column analysis, it was found that (R)-uniconazole exhibited preferential metabolism in the rat liver microsomes compared to (S)-uniconazole, which was further confirmed by molecular docking studies showing higher binding affinity to cytochrome CYP2D2. This work provides valuable insights for the risk assessment of uniconazole on human health and the environment.
PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY
(2021)
Article
Chemistry, Analytical
Raphael N. Alolga, Shi-Lei Wang, Isaac Ayensu, Chiemezie S. Nebeolisa
Summary: This study aimed to address the lack of scientific literature on xylopic acid (XA) by investigating its pharmacokinetic parameters and in vitro liver microsomal enzyme metabolism. A new LC-MS/MS method was developed and validated for determining the plasma concentration-time profile of XA, and six metabolites were identified after XA underwent liver microsomal enzyme metabolism. The results of this study provide valuable insights for further research on XA.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2023)
Article
Infectious Diseases
Badriyah Alotaibi, Walaa A. Negm, Engy Elekhnawy, Thanaa A. El-Masry, Walaa S. Elseady, Asmaa Saleh, Khalid N. Alotaibi, Suzy A. El-Sherbeni
Summary: This study explored the potential therapeutic activity of oleoresin obtained from Boswellia dalzielii in the treatment of various pulmonary diseases, by demonstrating its antibacterial, antibiofilm, immunomodulatory, and anticancer activities, as well as its lung protective potential in a mouse model.
Article
Agricultural Engineering
Faezeh Jame-Chenarboo, Atousa Aliahmadi, Saba Khavari, Farhad Habibi, Rezvan Esmaeili, Alireza Ghassempour
Summary: In this study, a cell-free reaction for the production of (-)-menthol was introduced. Recombinant MMR protein was expressed in Escherichia coli and purified with high efficiency. The reductase activity and stereospecific activity of recombinant MMR were analyzed, and (-)-menthol with expected chirality was successfully synthesized.
INDUSTRIAL CROPS AND PRODUCTS
(2022)
Article
Toxicology
Zheng Xiang, Jieying Qiu, Xiaoying He, Xinwei Yu
Summary: This study investigated the metabolic profile and toxicokinetics of gelsenicine in rats using UPLC and mass spectrometry. The results revealed that gelsenicine is mainly metabolized in the liver and excreted through urine and bile. This study provides important information for the risk assessment and forensic identification of gelsenicine.
ARCHIVES OF TOXICOLOGY
(2022)
Article
Immunology
M. Sajid-ur-Rehman, Saiqa Ishtiaq, Mohsin Abbas Khan, Meshal Alshamrani, Muhammad Younus, Ghazala Shaheen, Muhammad Abdullah, Ghulam Sarwar, Muhammad Sohaib Khan, Faraza Javed
Summary: The study confirmed the significant anti-inflammatory, analgesic, and antipyretic potential of Sesuvium sesuvioides (SsCr) extract, supporting its folklore uses.
INFLAMMOPHARMACOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Hwanhui Lee, Yeo-Jung Kwon, Hanyong Jin, Heifeng Liu, Wonku Kang, Young-Jin Chun, Jeehyeon Bae, Hyung-Kyoon Choi
Summary: This study investigated the metabolic alterations and anticancer activity of ortho-topolin riboside (oTR) in non-small cell lung cancer (NSCLC). oTR showed the highest cytotoxicity among all tested compounds against NSCLC cells and reduced amino acid and pyrimidine synthesis. It also inhibited glycolytic function and decreased mitochondrial respiration function in NSCLC cells and tumors. The increased levels of phosphatidylcholine, phosphatidylethanolamine, and phosphatidylserine species suggested oTR's role as a fatty acid oxidation inhibitor. The antiproliferative and apoptotic effects of oTR were mediated by reduced p-ERK and p-AKT levels and increased cleaved Caspase-3 levels. This study provides a basis for the development of oTR-based therapeutic agents for NSCLC.
Article
Chemistry, Multidisciplinary
Ren-ai Xu, Shunbin Luo, Qianmeng Lin, Yuanyuan Shao, Chaojie Chen, Xuemei Ye
Summary: The study found that propafenone had an inhibitory effect on the metabolism of vortioxetine in both in vitro and in vivo experiments. It competitively inhibited vortioxetine in human liver microsomes (HLMs) and rat liver microsomes (RLMs) and increased the exposure of vortioxetine in rats when administered together.
ARABIAN JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Analytical
Lin Zhou, Xiaohan Hu, Chunyue Han, Xinru Niu, Lifeng Han, Haiyang Yu, Guixiang Pan, Zhifei Fu
Summary: This study comprehensively investigated the absorption, metabolism, distribution, and excretion of emodin. The absolute bioavailability of emodin was found to be approximately 3.2%, with around 56% of emodin remaining unabsorbed and excreted mainly in feces. Metabolites of emodin, including hydroxylated and glucuronidated metabolites, were rapidly formed in the body. The distribution of emodin and its metabolites was mainly observed in the kidney, while excretion occurred predominantly through urine and feces for hydroxylated metabolites, and through urine and bile for glucuronidated metabolites. The study also identified key liver enzymes involved in the metabolism of emodin, namely CYP1A2, CYP2E1, UGT1A1, UGT1A9, and UGT2B7. This comprehensive study provides valuable insights into the pharmaceutical and toxicological effects of emodin.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2023)
Article
Chemistry, Multidisciplinary
Muzaffar Iqbal, Essam A. Ali, Mohd Abul Kalam, Sheikh F. Ahmad, Rashad Al-Salahi
Summary: A simple, selective and reliable ultra-performance liquid chromatography-tandem mass spectrometry assay has been developed for the quantitative analysis of 5-Aminoisoquinoline (5-AIQ) in plasma. The assay was linear in the concentration range of 1.0 to 666 ng/mL and showed good precision and bias. In silico ADME prediction showed that 5-AIQ is very soluble in water and has high gastrointestinal absorption and blood-brain barrier permeability. The validated method can be utilized for future pharmacokinetic and bio-distribution studies.
APPLIED SCIENCES-BASEL
(2022)
Article
Plant Sciences
Lina Shan, Xianbao Shi, Tingting Hu, Jiayin Hu, Zhe Guo, Yonggui Song, Dan Su, Xiaoyong Zhang
Summary: This study investigated the metabolic characteristics of toddalolactone, the main component of Toddalia asiatica (L.) Lam. The results showed significant species differences in toddalolactone metabolic profiles, which will be helpful for appropriate species selection in further studies of toddalolactone. Toddalolactone exhibited induction effects on CYP1A1 and CYP3A5 protein expression and had different pharmacokinetic profiles in rats.
PHARMACEUTICAL BIOLOGY
(2022)
Review
Biochemical Research Methods
Icaro Salgado Perovani, Carolina Oliveira Serpellone, Anderson Rodrigo Moraes de Oliveira
Summary: Experimental designs play a crucial role in optimizing enantioresolution methods using capillary electromigration techniques (CETs), extracting information from method behavior and enabling estimation of the true optimum condition.
Article
Biochemistry & Molecular Biology
Icaro Salgado Perovani, Jade Lorena Mariano Bucci, Daniel Blascke Carrao, Maike Felipe Santos Barbetta, Rodrigo Moreira da Silva, Norberto Peporine Lopes, Anderson Rodrigo Moraes de Oliveira
Summary: Ethofumesate, a chiral herbicide, and its main metabolite ethofumesate-2-hydroxy may exhibit enantioselective inhibition of CYP2C19. The study found that (-)-ethofumesate showed nearly twice the inhibition potency towards CYP2C19 compared to (+)-ethofumesate.
CHEMICO-BIOLOGICAL INTERACTIONS
(2021)
Article
Chemistry, Organic
Valter E. Murie, Paula Nicolino, Thiago dos Santos, Guido Gambacorta, Rodolfo H. Nishimura, Icaro S. Perovani, Luciana C. Furtado, Leticia Costa-Lotufo, Anderson Moraes de Oliveira, Ricardo Vessecchi, Ian R. Baxendale, Giuliano C. Clososki
Summary: A library of functionalized quinolines has been prepared through magnesiation of 7-chloroquinolines under mild conditions. The synthesized 4-carbinol quinolines showed interesting antiproliferative properties, with their hydroxyl group serving as a suitable amino group bioisostere. The study also reported a two-step approach for optically active derivatives.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Toxicology
Maisa Daniela Habenschus, Daniel Blascke Carrao, Nayara Cristina Perez de Albuquerque, Icaro Salgado Perovani, Rodrigo Moreira da Silva, Viviani Nardini, Norberto Peporine Lopes, Luis Gustavo Dias, Anderson Rodrigo Moraes de Oliveira
Summary: The study investigated the inhibitory potential of the fungicide Tebuconazole on human liver microsomes and found that it may potentially cause pesticide-drug interactions by inhibiting CYP450 enzymes.
TOXICOLOGY LETTERS
(2021)
Article
Pharmacology & Pharmacy
Maraine Catarina Tadini, Fernanda Santos Fernandes, Saulo Duarte Ozelin, Matheus Reis Santos de Melo, Ana Luiza Mansur, Thais Bueno de Toledo, Nayara Cristina Perez de Albuquerque, Denise Crispim Tavares, Franciane Marquele-Oliveira, Anderson Rodrigo Moraes de Oliveira
Summary: Amphotericin B (AmB) is the gold standard for treating systemic fungal infections, but its use is limited due to high nephrotoxicity. This study developed a new formulation of AmB with gastro-resistant coated granules. Pharmacokinetic studies in rats showed that the higher dosage of 8.0 mg/kg had a longer half-life and mean residence time compared to the lower dosage of 4.0 mg/kg. These findings provide valuable insights for further safety and efficacy studies of the new AmB formulation.
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
(2022)
Article
Food Science & Technology
Icaro Salgado Perovani, Maike Felipe Santos Barbetta, Rodrigo Moreira da Silva, Norberto Peporine Lopes, Anderson Rodrigo Moraes de Oliveira
Summary: The demand for food worldwide has led to an increase in pesticide use. The fungicide Prothioconazole (PTC) is metabolized in the human body to form Prothioconazole-desthio (D-PTC). This study investigated the in vitro metabolism of PTC to D-PTC in human liver microsomes and found an enantioselective behavior. The CYP2C19 enzyme was identified as the main catalyst for PTC metabolism, and the formation of D-PTC was found to be limited.
FOOD AND CHEMICAL TOXICOLOGY
(2022)
Article
Pharmacology & Pharmacy
Maraine Catarina Tadini, Giulia Ballestero, Icaro Salgado Perovani, Nayara Cristina Perez de Albuquerque, Ana Luiza Aguilera Forte, Franciane Marquele-Oliveira, Anderson Rodrigo Moraes de Oliveira
Summary: This study evaluated the intestinal transport of isolated and encapsulated AmB using the Caco-2 monolayer model, aiming to suggest a new therapeutic option for AmB. Results showed that the AmB delivery system based on lipid nanoparticles is a promising strategy to increase AmB oral absorption.
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
(2022)
Meeting Abstract
Toxicology
D. P. De Oliveira, F. G. Leite, D. B. Carrao, A. R. Moraes De Oliveira, D. J. Dorta
TOXICOLOGY LETTERS
(2022)
Article
Agronomy
Edna Marcia Almeida Costa, Mariana Brasil De Andrade Figueira, Daniel Blascke Carrao, Maisa Daniela Habenschus, Anderson Rodrigo Moraes De Oliveira, Leonard Domingo Rosales Acho, Emerson Silva Lima, Igor Rafael Dos Santos Magalhaes
Summary: This study found that fruits from the Amazon region, including acai, buriti, camu-camu, cubiu, cupuacu, jenipapo, and tapereba, can inhibit the activity of the drug-metabolizing enzyme CYP3A4. Acai juice had the highest content of polyphenols and flavonoids among the fruits tested.
Article
Chemistry, Analytical
Bingbing Liu, Jie Cao, Lu Liu, Min Zeng, Hongli Yu, Hao Wu
Summary: This study investigated the effect of processing with Chebulae Fructus on the chemical composition of Euphorbia pekinensis (EP) and found that it could alter the composition and reduce toxicity, providing a scientific basis for optimizing processing technology and handling other ethnomedicines with toxic properties.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Renuka P. Rathnasekara, Abu M. Rustum
Summary: A simple and robust HPLC method was developed for simultaneous determination of four active pharmaceutical ingredients and their degradation products. The method successfully separated the peaks of interest and demonstrated stability-indicating capability by separating the degradation products in stressed samples.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Bryan Lee, Gita Kharal, Benjamin Sreenan, Claire Lin, Ruosheng Zeng, Colin A. Fox, Patricia Ellison, Robert O. Ryan, Paul J. Brett, David Aucoin, Xiaoshan Zhu
Summary: In this study, a new type of Mn-doped nanocrystals was developed for detecting a biomarker of a fatal disease. The sensitivity of the detection was enhanced by surface treatment and time-resolved reading, achieving a detection limit comparable to enzyme-based immunoassay.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Xiaoling Liu, Ting Yang, Lu Chen, Lili Lan, Guoxiang Sun, Ping Guo
Summary: In this study, the quality of Yiqing tablet was comprehensively evaluated using multi-component quantification, multi-dimensional fingerprint construction, and antioxidant activity analysis. The results showed that the sample had 25 components with antioxidant activity according to the HPLC fingerprint and most bands of FTIR also showed antioxidant activity. Based on the evaluation results of HPLC and FTIR fingerprint, all samples were classified as first level, demonstrating the consistency of sample quality. This study provides a new idea for achieving comprehensive quality evaluation of traditional Chinese medicines.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Siqi Li, Hao Guo, Yan Gao, Wen Tian, Shan Wang, Chen Shen, Lili Xu, Hailong Liu, Jinliang Zhang, Yingwu Wang
Summary: Using competitive ELISA to detect free cytokines is limited in accurately determining their real state and quantity. In this study, a novel cytokine immunoassay was developed using Rosetta molecular docking prediction technique to establish a method that can detect the true concentration of free cytokines without disrupting the dynamic equilibrium.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Changqing Yu, Tiantian Xie, Haiyan Liu, Ligai Bai
Summary: A phenyl-hybrid monolithic adsorbent with porous structure and multiple functional groups was prepared. It was used for the online extraction and quantification of coumarins in mouse plasma, showing good removal ability and selectivity.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Joao B. Pereira Jr, Vanessa S. Carvalho, William Q. Ferreira, Rennan G. O. Araujo, Sergio L. C. Ferreira
Summary: This work presents a simple, cost-effective, and environmentally friendly method for determining the content of multiple elements in medicinal herbs using ICP OES. The optimized experimental parameters result in low dissolved organic carbon content and residual acidity concentration. The accuracy of the method is confirmed through the analysis of certified reference materials, and its environmental friendliness is validated using the AGREE metric. Principal component analysis is used to classify the medicinal herbs based on their inorganic constituent concentrations.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Orwa Siddig, Chenxi Liu, Mohamed Abdulbagi, Min Song, Yu-ting Lu, Tai-jun Hang
Summary: In this study, a reliable LC-QTOF-MS method was developed to separate and characterize process-related substances and degradation products of Lurasidone hydrochloride. The results showed that Lurasidone hydrochloride exhibited instability under certain stress conditions, and several previously unidentified compounds were discovered. The study emphasizes the importance of monitoring and controlling related substances in the manufacturing processes to optimize the process and ensure quality control.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Jiaxi Fang, Luping Wang, Di Zhang, Yan Liang, Shouxin Li, Jingkui Tian, Qiang He, Juan Jin, Wei Zhu
Summary: This study reports that a novel compound called CPS-A exhibits therapeutic effects on cisplatin-induced acute kidney injury (AKI) and explores its potential mechanisms through transcriptomics and metabolomics. CPS-A improves cell viability, reduces inflammatory markers, and attenuates cisplatin-induced kidney injury. The study also identifies potential targets related to amino acid metabolism.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Ricardo Conde, Nadia Oliveira, Elisabete Morais, Ana Paula Amaral, Adriana Sousa, Goncalo Graca, Ignacio Verde
Summary: Decreased levels of tyrosine, glutamate, valine, leucine, and isoleucine are associated with worsening pathological cognitive decline. Decreased levels of isobutyrate, histidine, acetone, and unknown-1 metabolite are potential biomarkers with neuroprotective and antioxidant actions for cognitive decline.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
A. L. Santunione, F. Palazzoli, P. Verri, D. Vandelli, V. Castagnetti, C. Profeta, E. Silingardi
Summary: This study describes two fatal suicide cases involving four cardiovascular drugs, and presents the concentrations and distribution of these drugs in different post-mortem specimens. The study developed a fast, sensitive, and simple method for drug detection suitable for forensic purposes.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Meiyun Shi, Xinyue Zheng, Yuncheng Ge, Ning Zhang, Luyao Yu, Xujian Duan, Yajun Liu, Hongyu Xue, Jiansong You, Lei Yin
Summary: This study investigated the cellular uptake of low, medium and high molecular weight polyethylene glycol (PEG) in MCF-7 cells using UPLC-MS/MS and CID techniques. The results showed that PEG600, PEG2K, PEG4K and PEG10K exhibited low toxicity and had limited cellular entry at concentrations of 5-1200 μg/mL. Additionally, the environmental friendliness of the developed analytical methods was evaluated.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Ruijin Geng, Mengjie Yu, Jinbiao Xu, Yuanwang Wei, Qiong Wang, Junguo Chen, Fei Sun, Kun Xu, Han Xu, Xiaohui Liu, Juhua Xiao, Xianchao Zhang, Baogang Xie
Summary: This study validated serum methionine as a potential biomarker for Kawasaki disease (KD), and found that its alteration is associated with the activation of DNMT1 in KD patients.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Eman Shawky, Rasha A. Nassra, Aliaa M. T. El-Alkamy, Shaimaa M. Sallam, Samah M. El Sohafy
Summary: This study employed network pharmacology-based analysis and reverse molecular docking to investigate the molecular targets and pathways associated with gynecological disorders and the potential therapeutic effects of fenugreek constituents. The results highlighted the potential of steroidal saponins, isoflavones, and flavones as active constituents of fenugreek with implications for lactation, reproductive processes, and estrogenic activity. Animal model study further supported the presence of these bioactive compounds and their effects on body weight, serum prolactin levels, serum estradiol levels, and ovarian histological structure.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Xuelong Zhao, Ruixue Dai, Jing Wang, Liangliang Cao, Peidong Chen, Weifeng Yao, Fangfang Cheng, Beihua Bao, Li Zhang
Summary: This study identified the skin-permeable and skin-retainable components of Cayratia japonica ointment and found that flavonoids are the main active components that play a crucial role in the inflammatory and proliferative phases of wound healing.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)