Article
Chemistry, Applied
Swarup Kumar Tarai, Saikat Mandal, Arup Tarai, Ipsita Som, Angana Pan, Arka Bagchi, Arunima Biswas, Sankar Ch. Moi
Summary: The bidentate donor Schiff base HL was synthesized for the synthesis of CuL2 complex, which showed important structural features characterized by single crystal X-ray diffraction and spectroscopic methods. DFT/TD-DFT studies were performed to evaluate the structure optimization, electronic spectroscopy data, and binding interactions with biomolecules. The Cu(II) complex showed anticancer activity and less toxicity compared to cisplatin and oxaliplatin, and the mechanism of cell death was assessed via apoptosis or necrosis.
APPLIED ORGANOMETALLIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Swarup Kumar Tarai, Arup Tarai, Saikat Mandal, Bhaskar Nath, Ipsita Som, Rituparna Bhaduri, Arka Bagchi, Solanki Sarkar, Arunima Biswas, Sankar Ch. Moi
Summary: The bidentate ligand thiosemicarbazone (H3L) and its Ni(II) complex were synthesized and characterized. The complexes have square planar geometry and show binding abilities with DNA and BSA. The DFT/TD-DFT simulations and theoretical analysis provided insights into the reactivity, bonding mode, and bio-molecular affinity of the compounds. The compounds also demonstrated antiproliferative activity and cell death mechanisms against HEK293 and MCF-7 cell lines.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Inorganic & Nuclear
Stephen Mensah, Joseph D. Rosenthal, Mamta Dagar, Tyson Brown, Jonathan J. Mills, Christopher G. Hamaker, Gregory M. Ferrence, Michael I. Webb
Summary: The evolution of high virulence bacterial strains has led to the development of novel therapeutic agents. Metal-based therapeutics, with their structural variability and unique modes of action, show great promise. This study focused on the preparation and evaluation of ruthenium(ii)-arene complexes containing Schiff base ligands with an attached ferrocene, and identified a complex with prominent activity against clinically relevant bacterial strains.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Milica Mededovic, Ana Rilak Simovic, Dusan Cocic, Laura Senft, Sanja Matic, Danijela Todorovic, Suzana Popovic, Dejan Baskic, Biljana Petrovic
Summary: This paper presents the synthesis and structural characterization of a series of new ruthenium(II) complexes. The results showed that the ligand substitution reactions of the complexes were affected by different substituents and the aromaticity of the ligands. The complexes exhibited potential interactions with DNA and human serum albumin, and exerted selective cytotoxic activity against various cancer cell lines.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Imtiyaz Ahmad Mantoo, Masrat Bashir, Imtiyaz Yousuf
Summary: The present work focuses on the synthesis and characterization of a new water soluble dinuclear Cu(II) complex as a potential chemotherapeutic drug. The complex was thoroughly characterized and its intermolecular characteristics and DNA binding mode were investigated. The complex exhibited efficient and selective cytotoxicity against A549 cancer cell line.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Biochemistry & Molecular Biology
Priyanka Khanvilkar, Soumya R. Dash, Alisagar Vohra, Ranjitsinh Devkar, Debjani Chakraborty
Summary: New ferrocenyl substituted thiosemicarbazone ligands and their binuclear ruthenium(II) arene complexes have been synthesized and characterized. The structures were established through DFT calculations, and the interactions of the complexes with DNA and BSA have been studied, showing intercalation binding with DNA and good binding affinity with BSA. In vitro cytotoxicity assays against HeLa cell line demonstrated higher potency and cytotoxicity of the complexes at low concentrations.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Review
Chemistry, Inorganic & Nuclear
Xuezhao Li, Xing Zhao, Wen Wang, Zhuolin Shi, Yangming Zhang, Qingqing Tian, Yougang Yao, Cheng He, Chunying Duan
Summary: The development of highly efficient and minimally toxic agents with targeting abilities toward tumor tissues is an ongoing area of research in the fight against cancer. Different from the mononuclear and multinuclear metallodrug complexes, impressively, the unique supramolecular coordination complexes (SCCs) have shown great superiority in cancer treatment. Over the last decades, significant progress has been made in the design and synthesis of novel SCCs for intensive cancer therapy.
COORDINATION CHEMISTRY REVIEWS
(2023)
Article
Chemistry, Physical
Lukas Smolko, Ivana Spakova, Zuzana Klepcova, Katarina Dubayova, Erika Samol'ova, Miroslava Rabajdova, Maria Marekova
Summary: A novel zinc niflumato complex was synthesized and characterized, showing selectivity towards the endometriotic 12Z cell line and a higher affinity for 12Z DNA, suggesting possible specific DNA sequence recognition capabilities.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Inorganic & Nuclear
Marco Giampa, Davide Corinti, Alessandro Maccelli, Simonetta Fornarini, Giel Berden, Jos Oomens, Sabrina Schwarzbich, Thorsten Glaser, Maria Elisa Crestoni
Summary: This study investigates the binding ability of a dinuclear copper complex with phosphate diester ligands, revealing its interaction modes with phosphate groups and mononucleotides. The results suggest that this interaction contributes to the observed anticancer activity.
INORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Zeinab Mirzaei-Kalar, Ali Akbar Khandar, Jonathan M. White, Hoda Abolhasani, Tahereh Komeili Movahhed, Stephen P. Best, Abolghasem Jouyban
Summary: After the accidental discovery of cis-platinum, extensive research has been done on designing metallic compounds for cancer treatment. A solvent-dependent complex of nickel (II) with 1,10-phenanthroline and naproxen has been synthesized and its in vitro DNA binding and cytotoxicity on cancer cells have been studied. The results show that the complex has better inhibition on HT 29 cancer cells compared to cisplatin, but lower inhibition on HEK-293 normal cells.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Chemistry, Multidisciplinary
Borys V. Zakharchenko, Dmytro M. Khomenko, Roman O. Doroschuk, Ilona V. Raspertova, Sergiu Shova, Anna G. Grebinyk, Iryna I. Grynyuk, Svitlana V. Prylutska, Olga P. Matyshevska, Mykola S. Slobodyanik, Marcus Frohme, Rostislav D. Lampeka
Summary: The study revealed that cis-Pd(HLMe)Cl-2 exhibits pronounced cytotoxicity towards human leukemic lymphoblast's CCRF-CEM and cervix adenocarcinoma HeLa cells, showing a higher toxicity compared to cisplatin. The compound also affects the hemolysis of erythrocytes depending on its concentration, indicating a correlation between its interactions with cells and the molecular structure of the palladium ligand, as well as the cell type.
Article
Biochemistry & Molecular Biology
Sandra S. Jovicic Milic, Verica V. Jevtic, Snezana R. Radisavljevic, Biljana V. Petrovic, Ivana D. Radojevic, Ivana R. Rakovic, Dorge S. Petrovic, Danijela Lj. Stojkovic, Milena Jurisevic, Nevena Gajovic, Angela Petrovic, Nebojsa Arsenijevic, Ivan Jovanovic, Olivera R. Klisuric, Nenad L. Vukovic, Milena Vukic, Miroslava Kacaniova
Summary: Newly synthesized palladium(II) complexes with derivatives of 2-aminothiazoles were characterized and their substitution reactions kinetics, as well as their interactions with DNA and BSA, were studied. The complexes exhibited cytotoxic activity and moderate antimicrobial activity.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Hamid Goudarziafshar, Somaieh Yousefi, Yunes Abbasi Tyula, Michal Dusek, Vaclav Eigner
Summary: A new binuclear copper(I) Schiff base complex was synthesized using a template method, and its unique structural features and intermolecular interactions were revealed. The complex was found to bind with CT-DNA and exhibit significant antibacterial activities.
Article
Chemistry, Multidisciplinary
Ekaterina A. Ermakova, Yuliya A. Golubeva, Ksenia S. Smirnova, Lyubov S. Klyushova, Alexey S. Berezin, Leonid N. Fetisov, Alexandra E. Svyatogorova, Natalia O. Andros, Alexander A. Zubenko, Elizaveta V. Lider
Summary: Here, the synthesis, characterization, and in vitro investigation of cytotoxic activity against cancer and non-cancerous cell lines of six copper(ii) complexes with 1H-tetrazole-5-acetic acid and secondary ligands were presented. The compounds were characterized by various techniques, and their behavior in solution as well as their DNA binding constant were studied. The antimicrobial activity of the complexes was also investigated, and eight new crystal structures were obtained.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Mahboube Eslami Moghadam, Khadijeh Tavakoli Hafshajani, Nasrin Sohrabi, Morteza Rezaeisadat, Mohsen Oftadeh
Summary: In this study, both experimental and theoretical approaches were used to investigate the interaction between a Pt derivative and ct-DNA, an anticancer drug. The mode of DNA binding was evaluated through various spectroscopic methods, docking, and molecular dynamics simulation studies. Results showed that the interaction occurred through groove binding, as evidenced by UV-Vis, fluorescence spectroscopy, and thermal stability studies. The thermodynamic parameters and binding constant indicated that the complex-DNA formation is a spontaneous process mainly driven by H-bonding and groove binding. The theoretical studies demonstrated that the formation of [Pt(NH3)(2)(Isopentylgly)1NO(3)-DNA took place at the C-G center on DNA, leading to increased stability of the DNA-compound complex. The IC50 value against the human breast cell line suggests that the presence of the Isopentyl glycine ligand in the Pt compound contributes to its anticancer activity.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
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)