Article
Biochemistry & Molecular Biology
Ming Chen, Wen-Gui Duan, Gui-Shan Lin, Zhong-Tian Fan, Xiu Wang
Summary: A series of novel nopol derivatives bearing the 1,3,4-thiadiazole-thiourea moiety were synthesized and showed good antifungal activity, especially against Physalospora piricola, Cercospora arachidicola, and Alternaria solani. Furthermore, interesting structure-activity relationships were discovered through 3D-QSAR analysis.
Article
Biochemistry & Molecular Biology
Mei Huang, Min Huang, Xiu Wang, Wen-Gui Duan, Gui-Shan Lin, Fu-Hou Lei
Summary: A series of novel acyl thiourea compounds containing gem-dimethylcyclopropane ring were designed and synthesized, with their antifungal activities preliminarily evaluated. Some compounds exhibited high antifungal activities against Physalospora piricola and Gibberella zeae, outperforming the positive control. The 3D-QSAR model showed satisfactory fitting effect, indicating the potential of these compounds as antifungal agents.
MOLECULAR DIVERSITY
(2022)
Article
Multidisciplinary Sciences
Ratchanok Pingaew, Veda Prachayasittikul, Apilak Worachartcheewan, Anusit Thongnum, Supaluk Prachayasittikul, Somsak Ruchirawat, Virapong Prachayasittikul
Summary: This study evaluated the anticancer activities of a series of sulfur-containing compounds and developed QSAR models for activity prediction. The results showed that chemical properties such as mass, polarizability, and electronegativity were key predictors for compound activity. Certain fluorothiourea derivatives were suggested as potential anticancer molecules.
Article
Chemistry, Multidisciplinary
F. H. Elghareeb, E. M. Kandil, M. Abou-Elzahab, M. Abdelmoteleb, M. A. Abozeid
Summary: This study synthesized different novel compounds based on a 3D-spiro chromanone scaffold and found that they exhibited significant antimicrobial activity against resistant microbes. The molecular docking and QSAR analysis further confirmed the strong binding affinity of these compounds to various microbial targets, as well as a good correlation between their antimicrobial activity and structural/physicochemical parameters.
Article
Chemistry, Multidisciplinary
Menier Al-Anazi, Melati Khairuddean, Belal O. Al-Najjar, Mohammad Murwih Alidmat, Nik Nur Syazni Nik Mohamed Kamal, Musthahimah Muhamad
Summary: This article introduces the design and synthesis of new chalcone, pyrazoline, and pyrimidine derivatives as potential EGFR kinase inhibitors, and evaluates their binding affinities and anticancer activities.
ARABIAN JOURNAL OF CHEMISTRY
(2022)
Article
Plant Sciences
Meng Yan-Qiu, Jin-Ming Li, Zhi-Qi Wang, Dong-Ping Xu, Mei-Qi Huang, Bei-Bei Meng
Summary: Based on simulated docking, computer-aided drug design technology was used to analyze key amino acid fragments and determine active groups binding to key sites. Twelve novel analogues of oleanolic acid (OA) were synthesized and their structures were confirmed. The antitumor activities of these analogues were evaluated, showing that compounds I-3 and II3 had stronger cytotoxicity on tumor cells. These findings suggest that they may be potential candidate compounds for tumor therapy.
JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH
(2023)
Article
Immunology
Wanze Zhang, Bingxin Yu, Qingyu Meng, Luya Pu, Bin Liu, Fan Li
Summary: The novel IFN-like protein Novaferon, generated through gene shuffling, enhances the antitumor activity of NK cells by increasing the secretion of cytokines and upregulating activating receptors. In experiments, NK92-nova cells demonstrated stronger antitumor activity, inhibiting the growth of HepG2 cells without causing systemic toxicity.
INTERNATIONAL IMMUNOPHARMACOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Sowmya Andole, Gouthami Thumma, Rajasekhar Reddy Alavala, Kiran Gangarapu
Summary: The present work aimed to develop a Field-based 3D-QSAR model using existing JAK-2 inhibitors. The JAK-STAT pathway is known to be involved in autoimmune diseases and myeloproliferative diseases. A Field-based 3D QSAR model was developed to determine the inhibitory potential of ligands. Virtual screening and molecular docking were performed to validate the results. The study showed the potential for discovering new JAK-2 inhibitors using the developed 3D QSAR model.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Yaqing Zuo, Rongrong Li, Yan Zhang, Guochen Bao, Yi Le, Longjia Yan
Summary: A series of 5-trifluoromethylpyrimidine derivatives were designed and synthesised as EGFR inhibitors, showing excellent antitumor activities, especially compound 9u. Further research revealed that compound 9u could induce cell apoptosis and arrest the cell cycle, suggesting its potential as an antitumor reagent.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2022)
Article
Chemistry, Medicinal
Eman A. Abd El-Meguid, Ahmed M. Naglah, Gaber O. Moustafa, Hanem M. Awad, Ahmed M. El Kerdawy
Summary: A series of benzothiazole-based derivatives were synthesized and showed promising cytotoxic activities, as well as inhibitory activities against VEGFR-2 and EGFR. Some derivatives exhibited potent activity against resistant cell lines. QSAR study revealed the impact of molecular bulkiness and molecular partial charge distribution on the kinase inhibition potency in this series. Molecular docking study showed that the synthesized derivatives adopted the common binding pattern of type II PK inhibitors in VEGFR-2.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2022)
Article
Biochemistry & Molecular Biology
Heba K. A. El-Mawgoud, Ahmed M. Fouda, Mohammed A. A. El-Nassag, Ahmed A. Elhenawy, Mohammed Y. Alshahrani, Ahmed M. El-Agrody
Summary: A series of novel oxygen-containing heterocyclic linked 1H-benzo[f]chromene moieties were designed and synthesized, showing anti-proliferative activity against cancer cell lines, particularly MCF-7, HCT-116, and HepG-2. The compounds exhibited potential mechanisms involving cell cycle arrest and inhibition of topoisomerase enzymes.
CHEMICO-BIOLOGICAL INTERACTIONS
(2022)
Article
Biochemistry & Molecular Biology
Mariam M. Fakhry, Amr A. Mattar, Marwa Alsulaimany, Ebtesam M. Al-Olayan, Sara T. Al-Rashood, Hatem A. Abdel-Aziz
Summary: A new series of thiazolyl-pyrazoline derivatives have been designed and synthesized, and they exhibit potent anticancer activity against breast cancer cells and dual inhibitory activity against EGFR and HER2.
Article
Biochemistry & Molecular Biology
Claudio Godoy-Castillo, Nicolas Bravo-Acuna, Gloria Arriagada, Fernando Faunes, Roberto Leon, Jorge Soto-Delgado
Summary: Molecular modeling methods were used to identify the putative binding site of inhibitors and understand the inhibitory effect of naphthoquinone derivatives on Hsp90. Molecular docking revealed key amino acid residues responsible for Hsp90 inhibition, and molecular dynamics simulation provided insights into the binding modes and interactions. These results can guide the rational modification of quinone-based molecules for designing more potent Hsp90 inhibitors with highly potent antitumor activity.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Chemistry, Medicinal
Omkulthom M. Alkamaly, Najla Altwaijry, Rehab Sabour, Marwa F. Harras
Summary: Novel derivatives of the pyrazoline scaffold showed significant and broad-spectrum anticancer activities with lower cytotoxicity against normal cells. Compounds 5b and 7c were identified as potent dual EGFR and VEGFR2 inhibitors, with strong apoptotic effects on cancer cells. The compounds also demonstrated potential as apoptosis inducers through molecular docking analyses.
ARCHIV DER PHARMAZIE
(2021)
Article
Biochemistry & Molecular Biology
Philipe de Oliveira Fernandes, Joao Paulo A. Martins, Eduardo B. de Melo, Renata Barbosa de Oliveira, Thales Kronenberger, Vinicius Goncalves Maltarollo
Summary: The study suggests that aliphatic substituents at the hydrazone moiety are crucial for the antifungal activity of thiazolylhydrazones. Modern techniques were used to create QSAR models with high predictive power, supporting the design of new antifungal compounds.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Computer Science, Artificial Intelligence
Zhiqiang Pu, Huimu Wang, Zhen Liu, Jianqiang Yi, Shiguang Wu
Summary: In this article, a novel method called AERL is proposed to address complex interaction and communication issues in multi agent cooperation. The method utilizes attention mechanism and parameter sharing to achieve effective and robust performance, as demonstrated in simulation experiments in three representative scenarios.
IEEE TRANSACTIONS ON NEURAL NETWORKS AND LEARNING SYSTEMS
(2023)
Article
Public, Environmental & Occupational Health
Zheng Xu, Ru Liu, Liping Guo, Ziyi Gao, Zicheng Gao, Xiaowei Liu, Jieyun Li, Bin Li, Kehu Yang
Summary: This scientometric investigation provides a comprehensive analysis of the development and emerging research trends in bibliotherapy. The study identifies the leading countries and institutions in the field and highlights the hot topics of research, such as depression and anxiety. The findings of this study serve as a valuable reference for researchers in the field of bibliotherapy.
PSYCHOLOGY HEALTH & MEDICINE
(2023)
Article
Environmental Sciences
Yu Qin, Meixuan Li, Jiani Han, Gecheng Cui, Weiping Du, Kehu Yang
Summary: This study explored the research hotspots and trends of Kinesio Taping in the past decade through bibliometric analysis. The results revealed that pain relief, sports injury prevention and treatment, and proprioception enhancement for improved postural control were important research areas in the field of Kinesio Taping.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Plant Sciences
Hongling Zhang, Guiqiong Li, Min Jiang, Changling Zhao, Pengyu Zhao, Chen Wang, Guosong Wen, Feng Zhou, Wenhua Dongchen, Shaozhong Xu, Ting Mu, Fanlai Meng, Xinglei Xiao, Di Yang, Zhengjie Liu, Ya Zhou, Qin Xiong
Summary: The expression of flavonoid synthesis-related genes in Panax notoginseng stems shows multi-peak curves, and the distribution of total flavonoid and anthocyanin content in the stems is asymmetric, mainly concentrated in the upper parts. The correlations between gene expression and flavonoid accumulation are highly diverse.
ACTA PHYSIOLOGIAE PLANTARUM
(2023)
Article
Biochemistry & Molecular Biology
Xuhui Liu, Xiaoxiao Deng, Weilong Kong, Tong Sun, Yangsheng Li
Summary: Using genomics resources, we found that hybridization can significantly increase rice yield, especially by combining specific genotypes to increase grain number per panicle (GNPP).
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Review
Oncology
Qian Wang, Ruifeng Liu, Qiuning Zhang, Hongtao Luo, Xun Wu, Tianqi Du, Yanliang Chen, Mingyu Tan, Zhiqiang Liu, Shilong Sun, Kehu Yang, Jinhui Tian, Xiaohu Wang
Summary: The purpose of this study was to evaluate the biological effects of cancer stem cells (CSCs) irradiated by charged particle, including proliferation, invasion, migration, and changes in the molecular level. The results showed that CSCs have obvious radio-resistance compared with non-CSCs, and charged particle irradiation or in combination with drugs could overcome this resistance, specifically manifested in inhibiting CSCs' proliferation, invasion, migration, and causing more and harder to repair DNA double-stranded breaks (DSB) of CSCs.
JOURNAL OF CANCER RESEARCH AND CLINICAL ONCOLOGY
(2023)
Article
Health Care Sciences & Services
Yan Wang, Nan Chen, Kangle Guo, Yanfei Li, Fenfen E, Chaoqun Yang, Xue Shang, Xiuxia Li, Kehu Yang
Summary: This study evaluated and mapped the reporting and methodological quality of network meta-analysis (NMA) on acupuncture. The reporting quality of NMAs was found to be moderate, but the methodological quality was very low, especially for Chinese studies. Future NMAs, especially those from China, need to improve their reporting and methodological quality further.
JOURNAL OF CLINICAL EPIDEMIOLOGY
(2023)
Article
Physics, Multidisciplinary
Xingxing Yang, Yang Li, Xin Guo, Meiling Ding, Jingxuan Yang
Summary: This paper proposes a strategy to reduce energy consumption by storing and transmitting regenerative energy of trains through multi-agent simulation. By optimizing the train operation time and dwell time, the traction energy consumption is reduced, and the accuracy of the simulation model is validated in a practical case study.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2023)
Review
Nutrition & Dietetics
Bei Pan, Honghao Lai, Ning Ma, Dan Li, Xiyuan Deng, Xiaoman Wang, Qian Zhang, Qiuyu Yang, Qi Wang, Hongfei Zhu, Mengting Li, Xiao Cao, Jinhui Tian, Long Ge, Kehu Yang
Summary: Through a systematic review and meta-analysis of 37 cohort studies, it was found that an increased consumption of sugar-sweetened beverages (SSBs) per 250 mL/day was associated with a higher risk of breast, colorectal, biliary tract, and prostate cancer. Increased consumption of artificially sweetened beverages (ASBs) per 250 mL/day was associated with a higher risk of leukemia. Increased consumption of 100% fruit juice per 250 mL/day was associated with a higher risk of overall cancer, melanoma, squamous cell carcinoma, and thyroid cancer. There were linear dose-response associations between SSBs consumption and breast and kidney cancer, and between ASBs and fruit juices consumption and pancreatic cancer.
INTERNATIONAL JOURNAL OF BEHAVIORAL NUTRITION AND PHYSICAL ACTIVITY
(2023)
Review
Clinical Neurology
Ying Che, Tingting Lu, Tianming Wang, Hairong Zhao, Xulin Song, Qing Zhan, Chengzu Zhang, Haibang Pan, Kehu Yang, Bo Wang
Summary: This study evaluated the effects of head-of-bed elevation on patients with acquired brain injury (ABI). The results showed that elevating the head of the bed by 30 degrees can significantly reduce intracranial pressure (ICP), but did not have statistical differences on cerebral perfusion pressure (CPP) and disability at 90 days. Therefore, head-of-bed elevation of 30 degrees may be an effective noninvasive nursing practice for the prognosis and rehabilitation of ABI patients.
JOURNAL OF NEUROSCIENCE NURSING
(2023)
Review
Sport Sciences
Meng Xu, Chen Tian, Yong Wang, Shanshan Liang, Yiyun Wang, Xiuxia Li, Kehu Yang
Summary: This study conducted an umbrella review to summarize the evidence of associations between Pilates and multiple health outcomes, and evaluated the strength and validity of these associations. It found that Pilates can reduce body mass index and body fat percentage, relieve pain and disability, and improve sleep quality and balance. However, the certainty of the evidence was mostly low, and further high quality randomized controlled trials are needed to support these promising findings.
JOURNAL OF SCIENCE AND MEDICINE IN SPORT
(2023)
Review
Integrative & Complementary Medicine
Meng Xu, Chaoqun Yang, Tao Nian, Chen Tian, Liying Zhou, Yanan Wu, Yanfei Li, Xinxin Deng, Xiuxia Li, Kehu Yang
Summary: This study examines the adverse effects of acupuncture and finds that there are various types of adverse reactions, but the symptoms are mild. However, most of the included studies have low quality, indicating a need for further randomized controlled trials and systematic reviews to comprehensively analyze acupuncture-related adverse events.
Review
Emergency Medicine
Qi Zhou, Wenbo Meng, Yanhan Ren, Qinyuan Li, Marja A. Boermeester, Peter Muli Nthumba, Jennifer Rickard, Bobo Zheng, Hui Liu, Qianling Shi, Siya Zhao, Zijun Wang, Xiao Liu, Zhengxiu Luo, Kehu Yang, Yaolong Chen, Robert G. Sawyer
Summary: This study reviewed the effectiveness of intraoperative peritoneal lavage (IOPL) with saline in patients with intra-abdominal infections (IAIs). The findings suggest that IOPL with saline does not significantly reduce the risk of mortality, intra-abdominal abscess, incisional surgical site infection, postoperative complication, reoperation, and readmission when compared to non-IOPL. Therefore, routine use of IOPL with saline in patients with IAIs is not supported.
WORLD JOURNAL OF EMERGENCY SURGERY
(2023)
Article
Biochemistry & Molecular Biology
Mingao Zhou, Yifei Jiang, Xuhui Liu, Weilong Kong, Chenhao Zhang, Jian Yang, Simin Ke, Yangsheng Li
Summary: The CYP76 subfamily, which belongs to the CYP superfamily, is crucial for phytohormone biosynthesis and response to environmental stresses in plants. Genome-wide analysis of the CYP76 subfamily in seven AA genome species revealed three groups, with Group 1 having the largest number of members. Analysis of cis-acting elements showed a high number of elements related to jasmonic acid and light response. Gene duplication analysis indicated expansion mainly through SD/WGD and tandem forms, with strong purifying selection during evolution. Expression pattern analysis showed that OsCYP76s exhibit restricted expression patterns in leaves and roots. qRT-PCR analysis of CYP76s under abiotic stresses revealed specific response patterns and functional divergence between japonica and indica rice. These findings provide valuable insights into the functional diversity and evolution of the CYP76 subfamily and have implications for improving stress tolerance and agronomic traits in rice.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Health Care Sciences & Services
Xuping Song, Yan Ma, Jing Tang, Jiali Peng, Yue Hu, Yunze Han, Xinyu Fu, Xufei Luo, Xiuxia Li, Long Ge, Kehu Yang, Yaolong Chen
Summary: This study analyzed the trends and gaps in evidence of health effects on pollutants and extreme temperatures through evidence mapping, and conducted a cross-sectional survey on the use of GRADE in systematic reviews or meta-analyses. The results showed that GRADE is not widely used in these evaluations, and the certainty of evidence is generally low.
JOURNAL OF CLINICAL EPIDEMIOLOGY
(2023)