Article
Pharmacology & Pharmacy
Xujun Ruan, Yan Wang, Lirong Zhou, Qiuling Zheng, Haiping Hao, Dandan He
Summary: The discovery of disease biomarker based on untargeted metabolomics is important for studying pathological mechanisms and facilitating early disease diagnosis. This study evaluated the sample preparation, data processing procedure, and metabolite identification strategy for the discovery of breast cancer biomarkers. The optimized strategy simplified the process of exploring differential metabolites, laying a foundation for biomarker discovery and disease mechanism studies.
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Chemistry, Applied
Yan Cui, Kunze Du, Shixin Hou, Rui Yang, Lina Qi, Jin Li, Yanxu Chang
Summary: This study used a strategy that integrated metabolomics with chemometrics to identify quality markers for distinguishing the function-related bioactivity of fruits. Hawthorn fruit was used as an example. The comprehensive process provided guidance for discovering function-related active markers for food assessment.
Review
Endocrinology & Metabolism
Jessica Lasky-Su, Rachel S. Kelly, Craig E. Wheelock, David Broadhurst
Summary: Metabolomic Epidemiology is a rapidly growing area of research, with the establishment of a task group within the Metabolomics Society to promote its growth and address key challenges in advancing population-based scientific discovery in metabolomics.
Article
Biochemistry & Molecular Biology
Victor F. Farinella, Eunizinis S. Kawafune, Marcelo M. P. Tangerina, Helori V. Domingos, Leticia V. Costa-Lotufo, Marcelo J. P. Ferreira
Summary: Utilizing the OSMAC strategy, three endophytic fungi isolated from Moquiniastrum polymorphum were cultivated to evaluate the production of griseofulvin derivatives. Analysis through HPLC-MS/MS and FBMN allowed for the observation of strain-specific production differences and variations in cytotoxic activity. The study isolated griseofulvin and 7-dechlorogriseofulvin, with malt extract-peptone broth and Wickerham broth media producing the highest concentrations of secondary metabolites.
Article
Biochemistry & Molecular Biology
Shenxin Zeng, Shuai Yuan, Yu Zhang, Jinbei Du, Yuhao Wu, Yinqiao Chen, Peizhen Zhu, Wenhai Huang
Summary: A series of FAK inhibitors with a novel scaffold were designed and synthesized based on cyclization strategy in this study. Compound 10b showed excellent FAK inhibition and anticancer activity against multiple cancer cell lines, especially A549. In addition, it exhibited effective invasion and migration suppression in A549 cells, induced apoptosis, and arrested the cells in the G2/M phase. Therefore, compound 10b is a promising FAK inhibitor and serves as a lead compound for further optimization.
BIOORGANIC CHEMISTRY
(2023)
Article
Biochemical Research Methods
Zhenzhen Xue, Lulu Xu, Zhanpeng Shang, Xiaomeng Shi, Min Ye, Xue Qiao
Summary: A two-leveled metabolomics strategy was proposed to discover minor marker compounds for different Chinese patent medicines. Using Zhenqi Fuzheng granule as an example, 14 marker compounds were identified which could reflect the quality difference for the products. The strategy could also contribute to the discovery of quality control markers for other Chinese patent medicines.
JOURNAL OF CHROMATOGRAPHY A
(2021)
Article
Pharmacology & Pharmacy
Lingyu Han, Yue Yuan, Xinyi Chen, Jian Huang, Guan Wang, Chao Zhou, Jianjian Dong, Na Zhang, Yuxin Zhang, Hang Yin, Yunyao Jiang
Summary: “This study established a screening strategy to identify potential components with anti-sepsis activity from Scutellariae radix (SR) based on correlation analysis between plant metabolomics and pharmacodynamics. Oroxylin A was identified as a potential anti-sepsis compound, which exhibited inhibitory effects on the toll-like receptor 4/nuclear factor-kappa B (TLR4/NF-kappa B) signaling pathway. The study provides a feasible research strategy for the discovery of anti-sepsis drugs from traditional Chinese medicine.”
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Chemistry, Medicinal
Lanchang Gao, Chao Hao, Jiali Chen, Ru Ma, Lu Zheng, Qingkun Wu, Xin Liu, Bi-Feng Liu, Guisen Zhang, Yin Chen, Jian Jin
Summary: A series of benzoisoxazoleylpiperidine derivatives were synthesized using multi-target strategies, with compound 4w showing high affinities for multiple receptors and potential antipsychotic drug-like activities in animal studies.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2021)
Article
Pharmacology & Pharmacy
Rong Dong, Qingping Tian, Yongping Shi, Shanjun Chen, Yougang Zhang, Zhipeng Deng, Xiaojing Wang, Qingqiang Yao, Liwen Han
Summary: This study established an effective research strategy of Omics Discrimination-Grey Correlation-Biological Verification, which enabled the rapid identification of key pharmacological components of Gardenia Fructus. These markers have provided a scientific basis for constructing a modern quality evaluation system for Gardenia Fructus.
FRONTIERS IN PHARMACOLOGY
(2021)
Article
Chemistry, Medicinal
Mingming Zhang, Wei Wei, Chengjun Peng, Xiaodong Ma, Xiao He, Heng Zhang, Mingkang Zhou
Summary: The study unveils a novel series of mTOR/HDAC bi-functional inhibitors, with compound 50 showing high dual-target inhibitory and anti-proliferative activities, making it a potential anti-cancer agent for further investigation.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Rongxin Zhang, Xiaotang Yan, Shupeng Yin, Weihong Wang, Weiming Zhu, Peng Fu
Summary: Five new pyrrolizidine alkaloids were isolated from Streptomyces sp. CPCC 200497 and their structures were assigned. Chimeric derivatives were synthesized based on the nonenzymatic formation mechanism of methylene-bridged dimers, and compounds 13, 15, 19, and 21 showed significant antioxidant activity.
CHINESE JOURNAL OF CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Yao Xiao, Yang Zhang, Wan-Sheng Ji, Xiao-Nan Jia, Lian-Hai Shan, Xiaohuan Li, Yan-Jun Liu, Ting Jiang, Feng Gao
Summary: A series of novel myrsinane-type Euphorbia diterpene derivatives were synthesized with the aim of discovering potential anti-Alzheimer's disease bioactive lead compounds. The compounds showed moderate to strong cholinesterase inhibitory and neuroprotective activities. Derivative 37 displayed the most potent inhibition of acetylcholinesterase and excellent neuroprotective effect, making it a promising lead compound for Alzheimer's disease treatment. SAR analysis was performed to study the activities of these diterpenes.
BIOORGANIC CHEMISTRY
(2023)
Article
Chemistry, Medicinal
Jishun Quan, Huali Yang, Fengyun Qin, Yeli He, Jiao Liu, Ying Zhao, Chao Ma, Maosheng Cheng
Summary: A series of tryptamine derivatives were designed and synthesized as novel GluN2B-NMDAR antagonists. Compound Z25 exhibited significantly better neuroprotective activity than the positive control drug and showed potential as an effective antagonist of the human GluN2B-NMDA receptor. The in vitro and in vivo studies supported further development of Z25 as a lead compound for the treatment of cerebral ischemic injury.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Yinli Gao, Hanxun Wang, Lanlan Shen, Hanqing Xu, Minghui Deng, Maosheng Cheng, Jian Wang
Summary: The inhibition of PD-1/PD-L1 interaction through small molecule inhibitors has shown potential in cancer immunotherapy.
BIOORGANIC CHEMISTRY
(2022)
Editorial Material
Nutrition & Dietetics
Emily M. Goodman, Jessica Redmond, Dana Elia, Stephanie R. Harris, Mary Beth Augustine, Rosa K. Hand
JOURNAL OF THE ACADEMY OF NUTRITION AND DIETETICS
(2018)
Article
Nutrition & Dietetics
Hope Barkoukis, James Swain, Catherine Rogers, Stephanie R. Harris
JOURNAL OF THE ACADEMY OF NUTRITION AND DIETETICS
(2019)
Article
Biochemistry & Molecular Biology
Satyam Singh, Md Fulbabu Sk, Avinash Sonawane, Parimal Kar, Sushabhan Sadhukhan
Summary: The sudden outbreak of COVID-19 has posed a massive threat to global public health. Research has shown that polyphenols can bind to the RNA replication enzyme of the novel coronavirus, potentially offering an effective treatment for COVID-19.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Nutrition & Dietetics
Rosa K. Hand, Ellen Sears, Stephanie R. Harris
TOPICS IN CLINICAL NUTRITION
(2020)
Article
Chemistry, Physical
Liya Thurakkal, Satyam Singh, Rajarshi Roy, Parimal Kar, Sushabhan Sadhukhan, Mintu Porel
Summary: The shift towards multi-targeted small molecules has opened up innovative pathways in drug discovery, which was utilized in investigating drugs for COVID-19. Seventy-six organosulfur compounds were screened for their interactions with multiple SARS-CoV-2 target proteins through molecular dynamics simulation, with Lurasidone and its derivatives showing significant binding affinity against five proteins. Pharmacokinetics, ADMET properties, and target prediction studies further supported the efficacy against SARS-CoV-2.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Biochemistry & Molecular Biology
Yashira L. Negron Abril, Irma R. Fernandez, Jun Young Hong, Ying-Ling Chiang, Dennis A. Kutateladze, Qingjie Zhao, Min Yang, Jing Hu, Sushabhan Sadhukhan, Bo Li, Bin He, Brenna Remick, Jessica Jingyi Bai, James Mullmann, Fangyu Wang, Viviana Maymi, Ravi Dhawan, Johan Auwerx, Teresa Southard, Richard A. Cerione, Hening Lin, Robert S. Weiss
Summary: SIRT5 is a member of the sirtuin family involved in regulating cellular metabolism by removing negatively charged groups from lysine residues. Inhibition of SIRT5 has been shown to suppress transformed properties of breast cancer cells and reduce mammary tumor growth in vivo, making it a promising target for breast cancer treatment.
Review
Food Science & Technology
Revathy Sahadevan, Satyam Singh, Anupama Binoy, Sushabhan Sadhukhan
Summary: This review comprehensively covers the development of novel techniques to improve the bioavailability of EGCG, including structural modifications, nano-carriers as efficient drug delivery systems, and synergistic studies with other bioactivities.
CRITICAL REVIEWS IN FOOD SCIENCE AND NUTRITION
(2022)
Article
Medicine, Research & Experimental
Chynna N. Broxton, Prabhjot Kaur, Manuela Lavorato, Smruthi Ganesh, Rui Xiao, Neal D. Mathew, Eiko Nakamaru-Ogiso, Vernon E. Anderson, Marni J. Falk
Summary: Dihydrolipoamide dehydrogenase (DLD) deficiency is a genetic disorder caused by mitochondrial depletion. By studying the nematode Caenorhabditis elegans, researchers found that DLD-1 deficiency leads to increased mitochondrial stress and impaired growth and neuromuscular function. The potential therapeutic effects of dichloroacetate and thiamine were demonstrated in this study.
Article
Biochemistry & Molecular Biology
Revathy Sahadevan, Anupama Binoy, Sai K. Vechalapu, Pandurangan Nanjan, Sushabhan Sadhukhan
Summary: We have developed a new cell-permeable and Click-able bioorthogonal probe, YnEGCG, for in situ detection and identification of EGCG's interacting proteins. This probe retains the biological activities of EGCG and identified 160 direct EGCG targets, including previously unknown proteins. The targets are distributed in various subcellular compartments and are mainly involved in regulating key metabolic processes. This study also suggests that EGCG is closely associated with apoptosis and has potential in inducing toxicity in cancer cells.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Analytical
Anna Jose, Revathy Sahadevan, Murugan Vijay, Sushabhan Sadhukhan, Mintu Porel
Summary: The design and synthesis of dansyl-appended fluorescent sequence-defined oligomers (SDOs) for the selective detection of toxic Hg2+ ions in water is reported. The sensor exhibited positive solvatochromism and a 100-fold enhancement in sensitivity was obtained by increasing the number of dithiocarbamate (DTC) units. The platform also allows for visual detection and the fabrication of paper strips for easy detection of Hg2+ ions, as well as the removal of Hg2+ ions from water with high efficiency.
SENSORS AND ACTUATORS B-CHEMICAL
(2023)
Article
Chemistry, Physical
Anna Jose, Shabin N. Chathangad, Revathy Sahadevan, Anupama Binoy, Arumugam Vignesh, Sushabhan Sadhukhan, Mintu Porel
Summary: In this study, a new pyrene-quinoline based cell-permeable aggregation-induced emission luminogen (AIEgen) called PyQ was designed and synthesized, which has implications in cellular imaging and antibacterial activity. The compound was characterized by NMR, HR-MS, and IR studies. PyQ showed AIE in the DMSO-water mixture, and its fluorescence emission was enhanced by the addition of water. The synthesised AIE compound was found to be non-toxic, cell-permeable, and capable of labeling the cytoplasm and plasma membrane, exhibiting both blue and green emission inside the cell. The aggregates of PyQ demonstrated potent antibacterial activity against Escherichia coli, disrupting the bacterial membrane.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Chemistry, Physical
Revathy Sahadevan, Anna Jose, Mintu Porel, Sushabhan Sadhukhan
Summary: In this study, lysine, a non-aromatic amino acid, was used as a fluorescence sensor for the detection of Cu2+ and Co2+ ions, as well as colorimetric distinction. The sensor exhibited low cost and ease of use.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Revathy Sahadevan, Anupama Binoy, Irene Shajan, Sushabhan Sadhukhan
Summary: The study demonstrates that mitochondrial-targeting EGCG derivatives can effectively combat oxidative stress in cardiomyocytes and protect cells from damage. These derivatives maintain mitochondrial function, alleviate cellular apoptosis, and provide cardioprotection against oxidative injuries associated with mitochondrial dysfunction.
Article
Chemistry, Multidisciplinary
Satyam Singh, Revathy Sahadevan, Rajarshi Roy, Mainak Biswas, Priya Ghosh, Parimal Kar, Avinash Sonawane, Sushabhan Sadhukhan
Summary: In this study, a novel long-chain ether derivative of (-)-epigallocatechin-3-gallate (EGCG) was identified as a potent EGFR inhibitor. The compound showed strong antiproliferative activity against cancer cell lines expressing different levels of EGFR and was more stable than EGCG under physiological conditions. Mechanistically, the compound induced cell death through downregulation of BCLXL and upregulation of BAX, and inhibited EGFR phosphorylation and its downstream signalling proteins. Molecular docking analysis revealed the binding mode of the compound in the ATP-binding site of EGFR kinase domain.
Article
Education, Scientific Disciplines
Stephanie R. Harris, Beth Mordarski, Jodi Wolff, Colleen M. Croniger
Summary: Nutritional status has a significant impact on patient health, but medical school curricula often lack proper nutrition education. This study implemented a new teaching method by using the Nutrition Focused Physical Exam (NFPE) to emphasize the importance of evaluating patients' nutritional status and learning about malnutrition and nutrient deficiencies.
MEDICAL SCIENCE EDUCATOR
(2022)