Article
Biochemistry & Molecular Biology
Fernanda M. F. Roleira, Saul C. Costa, Ana R. Gomes, Carla L. Varela, Cristina Amaral, Tiago Augusto, Georgina Correia-da-Silva, Isabella Romeo, Giosue Costa, Stefano Alcaro, Natercia Teixeira, Elisiario J. Tavares-da-Silva
Summary: New steroidal aromatase inhibitors (AIs) were synthesized and tested. Carbonyl group at C-11 position and C-ring epoxides were found to be more effective in aromatase inhibition. Compound 7 exhibited the strongest AI activity with an IC50 of 0.011 μM, outperforming the clinically used AI Exemestane with an IC50 of 0.050 μM. A-ring epoxides were found to be less potent than A-ring olefins. 713-methyl substitution was shown to be more effective than 7 alpha-methyl substitution in aromatase inhibition.
BIOORGANIC CHEMISTRY
(2023)
Article
Engineering, Environmental
Yidan Gao, Shifa Zhong, Tifany L. Torralba-Sanchez, Paul G. Tratnyek, Eric J. Weber, Yiling Chen, Huichun Zhang
Summary: This study developed predictive models for the abiotic reduction of 60 organic compounds using both conventional chemical descriptor-based and machine learning approaches, finding that the machine learning model provided similar prediction accuracy to conventional QSARs across all compound classes and conditions.
Article
Multidisciplinary Sciences
Samuel W. Belfield, Mark T. D. Cronin, Steven Enoch, James Firman
Summary: In recent years, there has been a significant increase in the use of machine learning approaches for QSAR development. This shift aligns with the desire to move away from animal-based in vivo protocols in chemical safety assessment and towards computational predictive toxicology. However, despite the potential of machine learning algorithms in handling large and diverse datasets, there are practical challenges regarding reproducibility, interpretability, and generalizability. This study aims to address these concerns by evaluating strategies to enhance transparency, generalizability, and predictive power when using machine learning algorithms for toxicity estimation.
Review
Oncology
Ying Huang, Gen Li, Chong Hong, Xia Zheng, Haiyang Yu, Yan Zhang
Summary: This review discusses the structure-activity relationships (SAR) of steroidal alkaloids in anticancer activities, including various types of alkaloids. Studying SAR can facilitate the design and synthesis of compounds with lead potential.
FRONTIERS IN ONCOLOGY
(2021)
Review
Chemistry, Medicinal
Ankita Sood, Damanpreet Kaur Lang, Rajwinder Kaur, Balraj Saini, Sandeep Arora
Summary: Treatment for breast cancer remains challenging, with aromatase inhibitors showing significantly improved efficacy and safety compared to other drugs.
CURRENT TOPICS IN MEDICINAL CHEMISTRY
(2021)
Article
Oncology
Karen M. Gallegos, Jankiben R. Patel, Shawn D. Llopis, Rashidra R. Walker, A. Michael Davidson, Wensheng Zhang, Kun Zhang, Syreeta L. Tilghman
Summary: The development of aromatase inhibitor resistant breast cancer in postmenopausal women is hindered by the transition of breast cancer cells to hormone-independent state, which involves increased growth factor signaling and EMT. Analysis of letrozole-resistant breast cancer cells enriched for CSCs revealed a global proteomic signature associated with protein synthesis, highlighting the potential role of midasin in endocrine resistance.
FRONTIERS IN ONCOLOGY
(2021)
Review
Pharmacology & Pharmacy
Ashima Dhiman, Rupam Sharma, Rajesh K. Singh
Summary: Cancer, the second leading cause of death after heart disease, is characterized by the uncontrolled growth of cells. Targeting specific genes and proteins involved in the growth and survival of cancer cells has become a top priority in global research. Indole moiety, a combination of aromatic-heterocyclic compounds, has emerged as a promising scaffold for the development of anticancer drugs due to its bioavailability, unique chemical properties, and significant pharmacological behaviors. Recent advances in the medicinal chemistry of indole derivatives, including the synthesis of potential anticancer compounds and their mechanism of action, are discussed in this review.
ACTA PHARMACEUTICA SINICA B
(2022)
Article
Chemistry, Medicinal
Shenyou Nie, Yuan Yao, Fangrui Wu, Xiaowei Wu, Jidong Zhao, Yuanda Hua, Jingyu Wu, Tong Huo, Yi-Lun Lin, Alexander R. Kneubehl, Megan B. Vogt, Josephine Ferreon, Rebecca Rico-Hesse, Yongcheng Song
Summary: A novel series of compounds are found to be potent allosteric inhibitors of Zika virus protease, with inhibitory activities against homologous proteases of dengue and West Nile viruses as well. The most potent compounds showed strong inhibition of Zika virus replication in cells and in a mouse model, representing potential leads for drug development against Flavivirus infections.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Fei Yang, Fang Liu, Yong Min, Liqiao Shi, Manli Liu, Kaimei Wang, Shaoyong Ke, Yan Gong, Ziwen Yang
Summary: Two series of novel steroidal[17,16-d]pyrimidines derived from natural epiandrosterone and androsterone were designed and synthesized, and their potential anticancer activities were evaluated. The results showed that some of these compounds exhibited significant cytotoxic activities against human gastric cancer, lung cancer, and hepatocellular liver carcinoma cell lines. The inhibitory activities of these steroidal[17,16-d]pyrimidines were found to be affected by the configuration of the hydroxyl group in the steroidal scaffold.
Article
Chemistry, Medicinal
Letizia Giampietro, Marialucia Gallorini, Nicola Gambacorta, Alessandra Ammazzalorso, Barbara De Filippis, Alice Della Valle, Marialuigia Fantacuzzi, Cristina Maccallini, Adriano Mollica, Amelia Cataldi, Orazio Nicolotti, Rosa Amoroso
Summary: The study focused on designing phenyldiazenyl sulfonamides as aromatase inhibitors, with compound 3f showing the most promising inhibitory effects and ability to block cells at the G1/S cell cycle checkpoint. Through cell experiments and computational studies, a better understanding of the more active inhibitor 3f binding to the active site of aromatase was obtained, suggesting it as an interesting lead compound for the development of a new class of nonsteroidal aromatase inhibitors.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Oncology
Thomas Bachelot, Paul Cottu, Sylvie Chabaud, Florence Dalenc, Djelila Allouache, Suzette Delaloge, Jean-Philippe Jacquin, Julien Grenier, Laurence Venat Bouvet, Apurna Jegannathen, Mario Campone, Francesco Del Piano, Marc Debled, Anne-Claire Hardy-Bessard, Sylvie Giacchetti, Marie-Ange Mouret-Reynier, Philippe Barthelemy, Laure Kaluzinski, Audrey Mailliez, Eric Legouffe, Matthew Sephton, Judith Bliss, Jean-Luc Canon, Frederique Penault-Llorca, Jerome Lemonnier, David Cameron, Fabrice Andre
Summary: This study investigated the effect of adding everolimus to adjuvant therapy in early breast cancer and found that among high-risk patients, adding everolimus to adjuvant endocrine therapy did not improve disease-free survival. Tolerability was also a concern, with more than half of the patients discontinuing everolimus treatment before the study completion.
JOURNAL OF CLINICAL ONCOLOGY
(2022)
Article
Chemistry, Physical
Xiaonan Hu, Yang Ye, Wenbo Dong, Yichao Huang, Mingshan Zhu
Summary: The photocatalytic behaviors among ten kinds of organic contaminants and two heterojunction photocatalysts were comparatively investigated. The photocatalysts with abundant oxygen vacancies exhibited stronger absorption capacity towards light and weaker redox ability. A quantitative evaluation of structure-activity relationships among different organic contaminants and two photocatalysts were constructed.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Biochemistry & Molecular Biology
Cristina Amaral, Georgina Correia-da-Silva, Cristina Ferreira Almeida, Maria Joao Valente, Carla Varela, Elisiario Tavares-da-Silva, Anne Marie Vinggaard, Natercia Teixeira, Fernanda M. F. Roleira
Summary: This study investigates the anti-cancer properties and multi-target potential of compound 1 alpha,2 alpha-epoxy-6-methylenandrost-4-ene-3,17-dione (Oxy) in breast cancer cells. The results show that Oxy acts as an ER alpha antagonist and AR agonist, suggesting it could be a new multi-target drug. Furthermore, Oxy has the ability to sensitize AI-resistant breast cancer cells.
Article
Biochemistry & Molecular Biology
Violina T. T. Angelova, Teodora Tatarova, Rositsa Mihaylova, Nikolay Vassilev, Boris Petrov, Zvetanka Zhivkova, Irini Doytchinova
Summary: In this study, QSAR models with good predictive ability were derived based on data from the literature to reveal the relationships between the chemical structures of a set of arylsulfonylhydrazones and their anticancer activity. Using the derived knowledge, nine novel arylsulfonylhydrazones were designed and screened in silico for drug likeness. The compounds showed suitable drug and lead properties, and were further synthesized and tested in vitro for anticancer activity.
Article
Oncology
Nazli Bahrami, Shakila Jabeen, Andliena Tahiri, Torill Sauer, Hilde Presterud Odegard, Stephanie Beate Geisler, Berit Gravdehaug, Laurens Cornelus Reitsma, Knut Selsas, Vessela Kristensen, Jurgen Geisler
Summary: The study found that exemestane treatment significantly decreased serum levels of leptin, while letrozole caused a slight increase in leptin levels, providing new insights into the lack of cross-resistance between non-steroidal and steroidal aromatase inhibitors in breast cancer patients.
BREAST CANCER RESEARCH AND TREATMENT
(2021)
Article
Biochemistry & Molecular Biology
Megha Jethwa, Aditi Gangopadhyay, Achintya Saha
Summary: Epidermal growth factor receptor (EGFR), a crucial receptor in cancer therapy, was selected as a potential target for this study. A ligand-based pharmacophore model was developed and validated, and candidate molecules were screened using molecular docking and molecular dynamics simulation.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Aditi Gangopadhyay, Achintya Saha
Summary: This study aimed to repurpose FDA approved drugs against the RNA-dependent RNA polymerase (RDRP) domain of dengue virus serotype 3 (DENV3) using structure-based virtual screening and molecular dynamics (MD) simulations. The results showed that polydatin and betiatide exhibited stable interactions with the RDRP domain and higher binding affinity than the standard inhibitor. These findings may contribute to the development of serotype-selective drugs against dengue in the future.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Medicinal
Khushboo Pandey, Kiran Bharat Lokhande, Achintya Saha, Arvind Goja, Kakumani Venkateswara Swamy, Shuchi Nagar
Summary: This study aimed to search for potential lead compounds from the ZINC database through in silico approaches. The results indicated that the selected compounds may serve as potential anti-aromatase drug candidates, providing a valuable approach in developing novel anti-aromatase inhibitors for the treatment of ER+ breast cancer.
CURRENT COMPUTER-AIDED DRUG DESIGN
(2023)
Article
Biochemistry & Molecular Biology
Suvankar Banerjee, Shristi Kejriwal, Balaram Ghosh, Goverdhan Lanka, Tarun Jha, Nilanjan Adhikari
Summary: Angiogenesis, mediated by VEGF, is crucial for tumor progression, invasion, and metastasis. Small molecule VEGFR-2 inhibitors have limited usage due to severe toxicities, therefore, novel and cost-effective inhibitors are needed. In this study, a set of thiourea-based inhibitors were analyzed using fragment-based QSAR, molecular docking, and molecular dynamics simulation to understand their structural attributes and binding pattern. The findings suggest that certain structural features are important for VEGFR-2 inhibition while others are detrimental. The study also explored the significance of urea and thiourea binding at the active site for future molecule design.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Physical
Suvankar Banerjee, Sandip Kumar Baidya, Nilanjan Adhikari, Balaram Ghosh, Tarun Jha
Summary: COVID-19 is a devastating global disease with high transmissibility and mutations, and the lack of potential therapeutics has made it a crisis. Natural molecules, such as glycyrrhizin and its derivatives, show promise as a therapeutic strategy against COVID-19. This review discusses the therapeutic implications of glycyrrhizin and its derivatives, as well as their potential role in traditional Chinese medicine. Derivatization of glycyrrhizin and combination therapy with other anti-SARS-CoV-2 agents could lead to the development of novel treatments for COVID-19.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
S. Banerjee, S. K. Baidya, B. Ghosh, T. Jha, N. Adhikari
Summary: This study explored the structural and sub-structural fingerprints responsible for modulating MMP-9 inhibition through classification-dependent analysis. Based on these findings, new lead compounds were designed and validated, potentially serving as novel MMP-9 inhibitors in the future.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH
(2023)
Article
Biochemistry & Molecular Biology
Shovonlal Bhowmick, Tapan Kumar Mistri, Mohammad Rizwan Khan, Pritee Chunarkar Patil, Rosa Busquets, Abu Md Ashif Ikbal, Ankita Choudhury, Dilip Kumar Roy, Partha Palit, Achintya Saha
Summary: The novel coronavirus disease 2019 (Covid-19) outbreak caused by SARS-CoV-2 virus is still posing a threat to global health. Effective chemical compounds to combat Covid-19 are urgently needed. In this study, potential Amaryllidaceae alkaloids were screened and Galantamine, Lycorenine, and Neronine were identified as potential modulators of SARS-CoV-2 main protease and host TMPRSS2 protein.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Jigme Sangay Dorjay Tamang, Suvankar Banerjee, Sandip Kumar Baidya, Balaram Ghosh, Nilanjan Adhikari, Tarun Jha
Summary: In this study, the crucial structural contributions of dibenzofuran and dibenzothiophene derivatives towards MMP-12 inhibitory activity were determined using 2D and 3D-QSAR techniques. The study identified that the carboxylic group enhances binding with catalytic Zn2+ ion, i-propyl sulfonamido carboxylic acid contributes positively towards MMP-12 inhibition, and the dibenzofuran moiety confers stable binding at the S1 & PRIME; pocket. Molecular docking and MD simulation studies revealed the stable and compact binding between these compounds at the MMP-12 active site. These findings can aid in the development of selective and potent lead molecules for MMP-12-associated diseases.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Suvankar Banerjee, Shraddha Dumawat, Tarun Jha, Goverdhan Lanka, Nilanjan Adhikari, Balaram Ghosh
Summary: HDAC3 is an emerging target for the discovery of novel drug candidates against diseases including cancer. A machine learning method and chemical space exploration were used to analyze the structure of HDAC3 inhibitors and identify key features for HDAC3 inhibition.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Medicinal
Sravani Pulya, Ambati Himaja, Milan Paul, Nilanjan Adhikari, Suvankar Banerjee, Ganesh Routholla, Swati Biswas, Tarun Jha, Balaram Ghosh
Summary: HDAC3 modulation shows promise for breast cancer treatment, particularly for triple-negative cases. Novel pyrazino-hydrazide-based HDAC3 inhibitors have been designed and synthesized, with lead compound 4i demonstrating potent HDAC3 inhibition and strong cytotoxicity against triple-negative breast cancer cells. Compound 4i also exhibits favorable pharmacokinetic properties and shows therapeutic efficacy in a tumor-bearing mouse model.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
S. K. Baidya, S. Banerjee, B. Ghosh, T. Jha, N. Adhikari
Summary: In this study, the impact of various structures and spatial attributes on MMP-2 inhibition was investigated through computational modeling methods. The study found that favorable steric, electrostatic, and hydrophobic substituents at the terminal phenyl ring play a crucial role in MMP-2 inhibition. Additionally, key amino acid residues and their stable binding interactions with the molecules were identified.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Ranit Pariary, Sandip Dolui, Gourav Shome, Sk Abdul Mohid, Achintya Saha, Bhisma N. Ratha, Amaravadhi Harikishore, Kuladip Jana, Atin K. Mandal, Anirban Bhunia, Nakul C. Maiti
Summary: Our studies demonstrate that Coomassie Brilliant Blue G-250 shows promise as a chemical chaperone for stabilising the alpha-helical native human insulin conformers, preventing their aggregation and increasing insulin secretion. This multipolar effect, along with its non-toxic nature, could be valuable for the development of highly bioactive, targeted, and biostable therapeutic insulin.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Suvankar Banerjee, Sandip Kumar Baidya, Balaram Ghosh, Suvendu Nandi, Mahitosh Mandal, Tarun Jha, Nilanjan Adhikari
Summary: In this study, a quantitative structural assessment of meprin beta inhibitors was performed using non-linear pattern recognition techniques and binding mode analysis. The study identified various structural attributes and designed highly effective inhibitors for meprin beta. Molecular dynamics simulation also confirmed the stability of these inhibitors at the active site. Therefore, this study provides valuable tools for identifying and designing potent inhibitors for meprin beta-related pathophysiological conditions.
NEW JOURNAL OF CHEMISTRY
(2023)
Review
Chemistry, Medicinal
Suvankar Banerjee, Sandip Kumar Baidya, Nilanjan Adhikari, Tarun Jha
Summary: This review investigates newer MMPIs patented after the COVID-19 period for an updated perspective on MMPIs. The study found a significant decrease in the number of new patent applications in the post-COVID-19 period, despite the disclosure of several MMP-related patents up to 2020. In addition to major MMPs, attention has recently been focused on other isoforms (such as MMP-3 and MMP-7) for drug development. The selectivity and bioavailability of isoforms are major concerns in the development of effective MMPIs. Theoretical approaches and experimental methodologies can be adopted to develop novel MMPIs with improved pharmacokinetic profiles. Extensive research on the role of MMPs in cancer and the mechanisms of such MMPs in other diseases is needed for the development of novel MMPIs.
EXPERT OPINION ON THERAPEUTIC PATENTS
(2023)
Article
Biochemical Research Methods
Sandip Kumar Baidya, Suvankar Banerjee, Balaram Ghosh, Tarun Jha, Nilanjan Adhikari
Summary: This study utilized classification-based QSAR techniques and fragment-based data mining to analyze different MMP-9 inhibitors, revealing the importance of certain molecular fragments in MMP-9 inhibition. These findings have implications for the development of effective MMP-9 inhibitors in the future.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2024)
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)