Article
Biochemistry & Molecular Biology
Saeed Emami, Mehdi Valipour, Fatemeh Kazemi Komishani, Fatemehsadat Sadati-Ashrafi, Maria Rasoulian, Majid Ghasemian, Mahmood Tajbakhsh, Patrick Honarchian Masihi, Aidin Shakiba, Hamid Irannejad, Nematollah Ahangar
Summary: A series of new isatin aroylhydrazones were synthesized and evaluated for their anticonvulsant activities, with N-methyl analogs showing the strongest efficacy at a lower dose. Experimental determination of protein binding and lipophilicity was performed, while in silico evaluations showed acceptable ADME parameters and drug-likeness properties. Distance mapping and docking suggested possible actions on VGSCs and GABAA receptors, and cytotoxicity evaluation indicated safety profiles on neuronal and hepatic cells for selected compounds.
BIOORGANIC CHEMISTRY
(2021)
Article
Computer Science, Artificial Intelligence
Lars Stumpp, Hugo Smets, Simone Vespa, Joaquin Cury, Pascal Doguet, Jean Delbeke, Antoine Nonclercq, Riem El Tahry
Summary: The study demonstrates the possibility of using vagus nerve electroneurogram for seizure detection, with successful development of metrics and a classifier for this purpose.
INTERNATIONAL JOURNAL OF NEURAL SYSTEMS
(2021)
Article
Biochemistry & Molecular Biology
Adrian Bartoszek, Alicja Trzpil, Anna Kozub, Emilia Fornal
Summary: This study aimed to optimize the zebrafish larvae pentylenetetrazol-induced seizure model to investigate the interaction between caffeine and topiramate. An analytical method was developed to measure the levels of caffeine, topiramate, and its metabolite paraxanthine in zebrafish larvae. The results showed that caffeine and topiramate separately reduced the locomotor activity of zebrafish larvae but could not lower it to the control level. Co-administration of caffeine and topiramate at specific doses suppressed the activity to the control level.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Marine & Freshwater Biology
Bangeppagari Manjunatha, B. Deekshitha, Eunseok Seo, Jeongju Kim, Sang Joon Lee
Summary: Research shows that exposure to PM2.5 leads to increased mortality, reduced hatching rates, lower heart rates, and various developmental abnormalities in zebrafish. It also causes damage in skin cell layers, abnormalities in neurons, heart, liver, gills, brain, and eyes, and increased organelle dissolution at cellular/subcellular levels. Further investigation is needed to understand the specific elements in diesel pollution that contribute to this toxicity.
AQUATIC TOXICOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Lubna A. H. Mansour, Gehad E. Elshopakey, Fatma M. Abdelhamid, Talat A. Albukhari, Samah J. Almehmadi, Bassem Refaat, Mohamed El-Boshy, Engy F. Risha
Summary: Naringenin (NRG), a naturally occurring flavonoid found in citrus species and tomatoes, has various biological activities including antioxidant, antitumor, antiviral, antibacterial, anti-inflammatory, antiadipogenic, and cardioprotective effects. This study investigated the protective role of NRG against liver and brain toxicity induced by lead acetate in rats. The findings suggest that NRG has potential hepato- and neuroprotective effects against lead acetate toxicity.
Article
Chemistry, Analytical
Yanqing Song, Jie Ma, Huan Gao, Jinghui Zhai, Yueming Zhang, Jiawei Gong, Xiaoyu Qu, Tingting Hu
Summary: In this study, HPLC-TOF/MS-based untargeted metabolomics was used to analyze urine samples from a mouse model to investigate the mechanisms of hepatotoxicity and neurotoxicity induced by the co-administration of isoniazid and rifampicin. The analysis revealed disruptions in various metabolic pathways, including vitamin B6 metabolism, unsaturated fatty acid biosynthesis, and the metabolism of various amino acids and other compounds. Several urinary biomarkers were identified as potential diagnostic and evaluation tools for toxicity.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2023)
Article
Chemistry, Organic
Changjiang Yu, Xingbao Fang, Qinghua Wu, Xing Guo, Na Chen, Chao Cheng, Erhong Hao, Lijuan Jiao
Summary: A new class of tailor-made push-pull isoindole fluorophores has been synthesized using Suzuki coupling and Knoevenagel reactions. This synthetic strategy allows for the incorporation of various types of electron donors and acceptors, enabling the manipulation of energy gaps and tuning of absorptions and emissions. Most of the N-alkylated isoindole dyes exhibit aggregation-induced emission suitable for bioimaging and solid-state emission with peak emission up to 851 nm.
Article
Biochemistry & Molecular Biology
Nese B. Turkmen, Hande Yuce, Yasemin Sahin, Asli C. Taslidere, Dilan A. Ozek, Songul Unuvar, Osman Ciftci
Summary: The present study investigates the protective effects of resveratrol on brain and liver tissues in rats with pembrolizumab-induced toxicity. Resveratrol treatment reduced the levels of thiobarbituric acid reactive substance and increased the activities of glutathione peroxidase, catalase, and superoxide dismutase, as well as the levels of glutathione. It also decreased the expression of caspase-3 protein and histopathological changes in the liver and brain tissues.
JOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Taghred M. Saber, Azza M. A. Abo-Elmaaty, Enas N. Said, Rasha R. Beheiry, Attia A. A. Moselhy, Fathy Elsayed Abdelgawad, Mariam H. Arisha, Taisir Saber, Ahmed Hamed Arisha, Esraa M. Fahmy
Summary: The study demonstrated that the Alhagi maurorum extract can protect rat liver and brain tissues against the toxic effects induced by lead exposure by attenuating apoptosis and oxidative stress.
Article
Multidisciplinary Sciences
Mohammad Amin Manavi, Razieh Mohammad Jafari, Hamed Shafaroodi, Shahram Ejtemaei-Mehr, Mohammad Sharifzadeh, Ahmad Reza Dehpour
Summary: This study demonstrates that Ivermectin has anticonvulsant effects against PTZ- and MES-induced seizures in mice, possibly mediated by its action on GABAA receptors and KATP channels.
Review
Chemistry, Medicinal
Ying Wang, Zheshan Quan, Dachuan Liu
Summary: This article provides a systematic review of the research on 1,2,4-triazole in the field of anti-seizure therapeutics. The results demonstrate that 1,2,4-triazole occupies a unique position in heterocyclic chemistry and represents an important motif in medicinal chemistry due to its ability to exhibit diverse properties and bioactivities. Therefore, 1,2,4-triazole has promising potential value in the field of anti-seizure therapeutics.
LETTERS IN DRUG DESIGN & DISCOVERY
(2023)
Article
Pharmacology & Pharmacy
Patrick C. Milder, Agnes S. Zybura, Theodore R. Cummins, James A. Marrs
Summary: Approximately 30% of patients with epilepsy do not achieve adequate seizure control with current drugs and treatments, highlighting the need for more efficient screening methods. This study presents an optimized method using a zebrafish seizure model to screen anti-seizure drugs, comparing behavior and neural activity. The results show that EEG and GCaMP measurements largely correlate with behavior, providing a more comprehensive assessment of drug efficacy.
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Pharmacology & Pharmacy
Pavel Mares, Lucie Kozlova, Anna Mikulecka, Hana Kubova
Summary: This study identified age-dependent differences in the anticonvulsant activity of the GluN2B-selective antagonist Ro 25-6981, showing effectiveness in infantile rats but not in juveniles. Early exposure to Ro 25-6981 did not affect sensorimotor development, cognition, or emotionality, and cessation of treatment did not impact later seizure susceptibility.
Review
Food Science & Technology
Ashish Dogra
Summary: Rutin, a bioflavonoid present in fruits and vegetables, exhibits broad-spectrum properties in alleviating various toxicities. It exerts its protective effects through different mechanisms and cell signaling pathways. Rutin is a promising flavonoid for disease prevention and therapy, but human intervention trials are needed to confirm its effects.
FOOD REVIEWS INTERNATIONAL
(2023)
Article
Biochemistry & Molecular Biology
Abolfazl Khajavi Rad, Nazanin Entezari Heravi, Yasamin Kamkar-Del, Abbasali Abbasnezhad, Mohammad Jalili-Nik, Mohammad Naser Shafei, Reza Mohebbati
Summary: Z. jujuba has antioxidant effects and can protect the liver, heart, and brain from toxicity induced by ADR. It significantly decreases biochemical enzymes levels, improves oxidative conditions, and invigorates the tissues' antioxidant system. This herb shows promise as a complementary drug in treating tissue toxicity caused by ADR.
JOURNAL OF FOOD BIOCHEMISTRY
(2021)
Review
Chemistry, Analytical
Mangesh R. Patil, Saurabh B. Ganorkar, Amod S. Patil, Atul A. Shirkhedkar
Summary: Terahertz spectroscopy has emerged as a promising tool for pharmaceutical quality control. This review provides an overview of different forms and instrumentation of terahertz spectroscopy, highlighting its applications in analyzing proteins, studying crystallinity, evaluating tablet films and coats, monitoring medicinal aging variations, and detecting illicit drugs. The advantages and limitations of terahertz spectroscopy are critically discussed, offering insights into its potential prospects in the pharmaceutical industry.
CRITICAL REVIEWS IN ANALYTICAL CHEMISTRY
(2022)
Review
Chemistry, Analytical
Suraj R. Chaudhari, Prajakta D. Mhaske, Atul A. Shirkhedkar
Summary: This review provides a detailed overview of the various analytical methodologies published from 1976 to the present for evaluating acenocoumarol and its combinations. It also introduces chiral analytical methods for quantifying its enantiomers.
CRITICAL REVIEWS IN ANALYTICAL CHEMISTRY
(2022)
Article
Biochemical Research Methods
Atul A. Shirkhedkar, Suraj R. Chaudhari
Summary: An experimental approach combining analytical quality by design and green analytical chemistry was used to develop a high-performance thin-layer chromatography method for quantifying barnidipine hydrochloride in the pharmaceutical matrix. The method systematically addressed failure mode effect analysis, risk assessment, and optimization design. Through a screening of primary variables, the most suitable solvent proportions in the mobile phase were selected based on green analytical chemistry principles.
BIOMEDICAL CHROMATOGRAPHY
(2022)
Article
Chemistry, Medicinal
Matin Shaikh, Yashodeep Shinde, Rahul Pawara, Malleshappa Noolvi, Sanjay Surana, Iqrar Ahmad, Harun Patel
Summary: Osimertinib, a pyrimidine core-containing compound, is the only third-generation EGFR-TKI approved to target T790M resistance, but the C797S mutation may hamper its efficacy. Further research on overcoming resistance mechanisms is needed for effective treatment of NSCLC patients.
JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Biochemical Research Methods
Saurabh B. Ganorkar, Suraj R. Chaudhari, Preeti S. Bobade, Sagar H. Pawar, Atul A. Shirkhedkar
Summary: This study investigated the optimization of hydrolytic stress for Rufinamide using a full factorial design and desirability approach. Reversed-phase high-performance liquid chromatography was used to identify and resolve the degradation impurities. The developed method showed good precision, accuracy, and no interference from excipients or degradation products.
BIOMEDICAL CHROMATOGRAPHY
(2022)
Article
Biochemistry & Molecular Biology
Yassir Boulaamane, Iqrar Ahmad, Harun Patel, Niloy Das, Mohammed Reda Britel, Amal Maurady
Summary: Coumarins connected to position 6 exhibit higher selectivity towards MAO-B, while those connected to position 7 are relatively unstable. Molecular docking and dynamics simulations can help in elucidating the molecular interactions responsible for this selectivity, providing insights for further drug development against Parkinson's disease.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Ulviye Acar Cevik, Ismail Celik, Aysen Isik, Iqrar Ahmad, Harun Patel, Yusuf Ozkay, Zafer Asim Kaplancikli
Summary: Breast cancer is a common female cancer worldwide. In this study, a series of benzimidazole-1,3,4-oxadiazole derivatives were synthesized and compound 5a exhibited potent anticancer activity against breast cancer cell lines.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Yusuf Oloruntoyin Ayipo, Iqrar Ahmad, Yahaya Sani Najib, Sikirat Kehinde Sheu, Harun Patel, Mohd Nizam Mordi
Summary: In this study, four compounds with potential anti-SARS-CoV-2 activity were identified from the IBScreen database, among which STOCK1N-45901 was considered the most promising candidate and showed strong interactions with nsp3 and nsp12 enzymes. These compounds have the potential to be further developed as antiviral and anti-inflammatory agents.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Organic
Nisheeth C. Desai, Abhay S. Maheta, Aratiba M. Jethawa, Unnat P. Pandit, Iqrar Ahmad, Harun Patel
Summary: Zeolite (Y-H) is a promising choice for achieving a high yield in green synthesis with a shorter reaction time. The synthesized compounds showed potent antimicrobial activity against Gram-positive, Gram-negative, and fungal strains, with certain compounds demonstrating effectiveness at low concentrations. Molecular docking experiments were conducted to understand the mechanism of action of the compounds.
JOURNAL OF HETEROCYCLIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Prashant Chaudhari, Sanjaykumar Bari, Sanjay Surana, Atul Shirkhedkar, Sharad Wakode, Sandeep Shelar, Srikanth Racharla, Vinod Ugale, Mangesh Ghodke
Summary: This review discusses the potential of indolin-2-one in cancer treatment, recent progress in synthetic development, logical strategies in small molecule drug discovery, and the structure-activity relationship of indolin-2-one chemotype.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Derya Osmaniye, Sevval Karaca, Berkant Kurban, Merve Baysal, Iqrar Ahmad, Harun Patel, Yusuf Ozkay, Zafer Asim Kaplancikli
Summary: Breast cancer is the most common cancer type among post-menopausal women. Drug resistance may develop in long-term drug use, leading to the need for new agents. This study synthesized new compounds and investigated their anticancer activities, aromatase inhibition, and DNA synthesis inhibition.
BIOORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Rahul Pawara, Iqrar Ahmad, Deepika Nayak, Sateesh Belamkar, Sanjay Surana, Chanakya Nath Kundu, Chandragauda Patil, Harun Patel
Summary: A series of novel double mutant EGFR-L858R/T790M TK inhibitors were discovered using structure-based drug design and traditional optimization strategies. These inhibitors showed improved selectivity and lower toxicity, making them promising candidates for targeting the double mutant EGFR-L858R/T790M TK.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Iqrar Ahmad, Sazedur Rahman Akand, Matin Shaikh, Rahul Pawara, S. N. Manjula, Harun Patel
Summary: In this research, methaqualone derivatives were synthesized and evaluated for their anti-convulsant activity. Compounds 3, 4, 6, 7, and 11 showed significant anti-convulsant activities with low toxicity. They exhibited reduced acetylcholinesterase levels and stable interaction with the human GABA-A receptor.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Ratnamala S. Bendre, Rahul D. Patil, Pramod N. Patil, Harun M. Patel, Rakesh S. Sancheti
Summary: Novel Schiff-bases were synthesized and tested for their potential anti-MRSA activity, with compounds 2, 4 and 6 showing significant inhibition against the MRSA strain. Molecular docking studies revealed that compound 6 had strong docking ability against the FabI enzyme from S. aureus. The tested derivatives demonstrated low toxicity and no cytotoxic effects on mammalian cells.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Medicinal
Shuang Mei, Su Jiang, Yuting Wang, Han Jing, Peng Yang, Miao-Miao Niu, Jindong Li, Kai Yuan, Yan Zhang
Summary: This study identifies a dual-targeting peptide, AP-1, that effectively inhibits variants of concern (VOCs) of SARS-CoV-2 without impairing host cell viability. The findings suggest that AP-1 could be a promising broad-spectrum agent for treating emerging VOCs of SARS-CoV-2.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Hyeonjun Lee, Ju Yeon Lee, Hyunsoo Jang, Hye Young Cho, Minhee Kang, Sang Hyun Bae, Suin Kim, Eunji Kim, Jaebong Jang, Jin Young Kim, Young Ho Jeon
Summary: By using liquid chromatography-tandem mass spectrometry and nuclear magnetic resonance experiments, we identified new chemical moieties that bind to the target sites of the protein of interest, allowing for reversible binding and protein degradation. This method has the potential to expand the application of PROTAC technology.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Yingying Li, Xiyou Du, Xinru Kong, Yuelin Fang, Zhijing He, Dongzhu Liu, Hang Wu, Jianbo Ji, Xiaoye Yang, Lei Ye, Guangxi Zhai
Summary: This study proposes a novel nanoplatform based on the autophagy cascade to overcome the obstacles in chemo-immunotherapy. The platform combines chemotherapy and starvation therapy to initiate pro-death autophagy and enhance antigen presentation, while also remodeling the immunosuppressive tumor microenvironment. Furthermore, the study discovers a new therapeutic direction for the respiration inhibitor 3-bromopyruvic acid (3BP) in cancer treatment. Overall, this study offers an opportunity to improve antitumor efficacy and boost immune responses.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Bingsi Wang, Mingxu Ma, Yusen Dai, Pengfei Yu, Liang Ye, Wenyan Wang, Chunjie Sha, Huijie Yang, Yingjie Yang, Yunjing Zhu, Lin Dong, Shujuan Wei, Linlin Wang, Jingwei Tian, Hongbo Wang
Summary: Breast cancer is a common malignant tumor in women, and drug resistance remains a clinical challenge. In this study, a novel compound, G-5b, was developed with potent antagonistic and degradation activities comparable to the current drug fulvestrant. G-5b also showed improved stability and solubility. Mechanistically, G-5b engages the proteasome pathway to degrade ER, inhibiting the ER signaling pathway and inducing apoptosis and cell cycle arrest. In animal models, G-5b exhibited superior pharmacokinetics and pharmacodynamics properties. Overall, G-5b is a promising long-acting SERD worthy of further investigation and optimization.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Karoline B. Waitman, Larissa C. de Almeida, Marina C. Primi, Jorge A. E. G. Carlos, Claudia Ruiz, Thales Kronenberger, Stefan Laufer, Marcia Ines Goettert, Antti Poso, Sandra V. Vassiliades, Vinicius A. M. de Souza, Monica F. Z. J. Toledo, Neuza M. A. Hassimotto, Michael D. Cameron, Thomas D. Bannister, Leticia Costa-Lotufo, Joa o A. Machado-Neto, Mauricio T. Tavares, Roberto Parise-Filho
Summary: A series of hybrid inhibitors combining pharmacophores of known kinase inhibitors and benzohydroxamate HDAC inhibitors were synthesized and evaluated for their anticancer activity and pharmacokinetic properties. Compounds 4d-f exhibited promising cytotoxicity against hematological cells and moderate activity against solid tumor models. Compound 4d showed potent inhibition of multiple kinase targets and had stable interactions with HDAC and members of the JAK family. These compounds showed selective cytotoxicity with minimal effects on non-tumorigenic cells and favorable pharmacokinetic profiles.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Michal Sulik, Diana Fontinha, Dietmar Steverding, Szymon Sobczak, Michal Antoszczak, Miguel Prudencio, Adam Huczynski
Summary: This study describes the synthesis of the first-in-class ivermectin derivatives obtained through derivatization of the C13 position, along with the unexpected rearrangement of the macrolide ring. These derivatives show potential for antiparasitic activity and are important for the development of new antiparasitic agents.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Jun Liu, Qiu-Xian Chen, Wen-Fu Wu, Dong Wang, Si -Yu Zhao, Jia-Hao Li, Yi-Qun Chang, Shao-Gao Zeng, Jia-Yi Hu, Yu-Jie Li, Jia-Xin Du, Shu-Meng Jiao, Hai-Chuan Xiao, Qiang Zhang, Jun Xu, Jian-Fu Zhao, Hai -Bo Zhou, Yong-Heng Wang, Jian Zou, Ping-Hua Sun
Summary: A new anti-infective drug strategy has been discovered to attenuate virulence and modulate inflammation caused by drug-resistant Pseudomonas aeruginosa infections. Compound 5f inhibits biofilm formation, macrophage migration, and inflammatory response induced by P. aeruginosa, showing potential as a novel candidate against drug-resistant infections.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Liuzeng Chen, Ke Wang, Lingyun Wang, Wei Wang, Lifan Wang, Jia Li, Xiaohan Liu, Mengya Wang, Banfeng Ruan
Summary: In this study, a series of novel anti-inflammatory compounds were designed and synthesized based on the natural product pterostilbene skeleton. Among them, compound 8 showed the highest activity and exhibited its effects through inhibition of pro-inflammatory cytokines by blocking the NF-KB/MAPK signaling pathway. Compound 8 also demonstrated a good relieving effect on acute colitis in mice and showed good safety in acute toxicity experiments.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
Article
Chemistry, Medicinal
Si-Min Liang, Gui-Bin Liang, Hui-Ling Wang, Hong Jiang, Xian-Li Ma, Jian-Hua Wei, Ri-Zhen Huang, Ye Zhang
Summary: A series of novel multi-target antitumor agents were designed, synthesized, and evaluated. Some compounds exhibited significant antitumor activity and one compound showed excellent efficacy, limited toxicity, and low resistance. Further mechanism studies revealed that the compound exerted antitumor effects through multiple pathways.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2024)
