Article
Biochemistry & Molecular Biology
Monnaya Chalermnon, Sarocha Cherdchom, Amornpun Sereemaspun, Rojrit Rojanathanes, Tanatorn Khotavivattana
Summary: Twelve derivatives of biguanide-derived 1,3,5-triazines were synthesized and evaluated for anticancer activity, with some derivatives showing promising cytotoxicity. Additionally, the potential use of calcium citrate nanoparticles as a drug delivery system was studied, showing pH-responsive controlled release of drugs under acidic conditions. This study provides valuable insights for the development of 1,3,5-triazine-based anticancer drugs and the incorporation of other drugs into calcium citrate nanoparticles in the future.
Article
Biochemistry & Molecular Biology
Lian Bai, Chunle Wei, Jian Zhang, Runjiang Song
Summary: In this study, a lead optimization was carried out using a commercial agent with antivirus activity and moroxydine hydrochloride. Several 1,3,5-triazine derivatives with piperazine structures were synthesized and evaluated for their anti-potato virus Y (PVY) activity. Compound C35 showed comparable or superior antiviral activity to the positive control and moroxydine hydrochloride, and molecular docking provided a theoretical basis for its activity.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Applied
Kristin Kelly, Geoff Brown
Summary: Experimental results showed that TCTNB underwent a chemical reaction in DMSO, resulting in changes in color and wavelength properties. Impurities and reaction products were identified using mass spectrometry. This reaction may lead to the substitution of chlorine and nitro groups with hydroxyl groups.
PROPELLANTS EXPLOSIVES PYROTECHNICS
(2021)
Article
Environmental Sciences
Guomao Zheng, Luma Melo, Rishika Chakraborty, James E. Klaunig, Amina Salamova
Summary: The study suggests that high levels of 2,4,6-TBP in human tissues may come partially from the biotransformation of highly brominated substances. High levels of 2,4,6-TBP were found in human tissues compared to environmental sources, indicating a low potential for direct intake through exposure or diet.
ENVIRONMENT INTERNATIONAL
(2022)
Article
Chemistry, Organic
Jakub S. Cyniak, Artur Kasprzak
Summary: The synthesis of two novel aromatic dendrimers derived from 1,3,5-tri[1,3-diphenyl(phenyl-5-yl)phenyl-4'-yl]benzene and bearing 2,4,6-tripheny1-1,3,5-triazine cores has been reported. These dendrimers are used for OLED construction and as innovative photocatalysts for highly efficient and selective oxidation of various benzylamines under mild conditions.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
C. A. Escobar, V Artigas, M. Bacho, A. Trujillo
Summary: This paper reveals the synthesis, crystal structure, and intermolecular interactions of Cy·CHCl3, which were validated through Hirshfeld surface analysis. The crystal structure exhibits pi-halogen intermolecular interactions and hydrogen bond interactions, contributing to the stability of the cell packing.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
M. Vathanaruba, S. Johnson Raja, R. Princess, P. Tharmaraj
Summary: A new series of copper(II) complexes based on tri substituted 1,3,5-triazine ligand have been synthesized and characterized. The complexes exhibit significant antibacterial, anticonvulsant, and anti-inflammatory activities in vitro and in vivo.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Xue-Chun Fang, Tong-Mou Geng, Feng-Qiang Wang, Wang-Hua Xu
Summary: Two nitrogen-rich conjugated microporous polymers (TEDOT and TBTh) with high stability and perpetual porosity were successfully synthesized through the Friedel-Crafts reaction. Both polymers show good fluorescence detecting abilities towards 2,4-dinitrophenol (DNP) and exhibit good iodine absorption and desorption properties.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Chunhui Dai, Ting He, Lixiang Zhong, Xingang Liu, Wenlong Zhen, Can Xue, Shuzhou Li, Donglin Jiang, Bin Liu
Summary: This study demonstrates the superior performance of two covalent organic frameworks (COFs) incorporated with 2,4,6-triphenyl-1,3,5-triazine as photocathodes for H-2 production. By introducing 2,4,6-triphenylbenzene to create donor/acceptor pairs within COF, a significantly enhanced visible-light photocurrent is obtained, attributed to the narrowed bandgap and improved charge transfer by intramolecular donor-acceptor combination. This work suggests promising applications of crystalline donor-acceptor COFs as high-efficiency organic photoelectrodes for water splitting.
ADVANCED MATERIALS INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Yan Deng, Qi-Ling Li, Yu-Qing Cai, Xian-Feng Ye, Wen Pu, Li-Feng Yao, Jian-Jun Liu, Shu-Biao Xia
Summary: Organic anode materials for lithium-ion battery with optimized small-molecule-based structure demonstrated high reversible capacity and excellent cycling performance. The lithium storage mechanism was studied using theoretical calculations and spectroscopy characterization, revealing the contribution of multiple active sites to its superior performance. This study provides new insights into the energy storage mechanism in small-molecule organic-based anode electrodes.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Physical
Tetsuo Asaji, Hirokazu Kobayashi, Hitoshi Takamisawa
Summary: The molecular motion of hexamethylbenzene (HMB) incorporated in 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine (CLPOT) was studied using 1H NMR spin-lattice relaxation time T1 measurements. HMB molecules in the porous space of one-dimensional (1D) CLPOT nanochannels exhibit greater freedom of reorientation compared to bulk HMB crystals. At low concentrations (x < 0.5) of CLPOT-(HMB)x, the distribution of HMB appears to be heterogeneous within the 1D nanochannel. The activation energy for in-plane reorientation of HMB is determined to be 5 kJ mol-1 due to interaction with the nanochannel wall, and 10-18 kJ mol-1 depending on the separation distance between adjacent HMB molecules, which influences the activation energy.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Review
Chemistry, Multidisciplinary
Neha Rani Kumar, Abhijeet R. Agrawal
Summary: This review provides an overview of the advancements in thienyl-triazine chemistry over the past two to three decades, including synthetic pathways and important derivatives. The focus is on materials synthesized using the thienyl-triazine system, such as star molecules, linear and hyperbranched polymers, porous materials, and their diverse applications.
Article
Chemistry, Organic
Jinjing Li, Linbo Li, Yuxiao Liu, Jie Zhang, Chengyang Shi, Shujing Zhou, Hongbin Qiu
Summary: A series of novel 4,6-dimorpholinyl-1,3,5-triazine derivatives were synthesized by N-substitution and Claisen-Schmidt condensation. The molecular structures of the derivatives were characterized using H-1 NMR, C-13 NMR, and mass spectrometry. The derivatives showed varying levels of antiproliferation activity against different cancer cell lines, with compound 6o exhibiting good cytotoxicity against all tested cell lines.
HETEROCYCLIC COMMUNICATIONS
(2023)
Article
Chemistry, Medicinal
Sougata Santra, Ainur D. Sharapov, Ramil F. Fatykhov, Anastasya P. Potapova, Igor A. Khalymbadzha, Maria I. Valieva, Dmitry S. Kopchuk, Grigory V. Zyryanov, Alexander S. Bunev, Vsevolod V. Melekhin, Vasiliy S. Gaviko, Andrey A. Zonov
Summary: In this study, 21 novel xanthone and acridone derivatives were synthesized via reactions between 1,2,4-triazine derivatives and 1-hydroxy-3-methoxy-10-methylacridone, 1,3-dimethoxy-, and 1,3-dihydroxanthone, followed by dihydrotiazine ring aromatization. The synthesized compounds were evaluated for their anticancer activity against colorectal cancer HCT116, glioblastoma A-172, breast cancer Hs578T, and human embryonic kidney HEK-293 tumor cell lines. Five compounds (7a, 7e, 9e, 14a, and 14b) showed promising in vitro antiproliferative activities against these cancer cell lines. Compounds 7a and 7e exhibited low toxicity for normal human embryonic kidney (HEK-293) cells, suggesting their potential as anticancer agents. Annexin V assay revealed that compound 7e activates apoptotic mechanisms and inhibits proliferation in glioblastoma cells.
Review
Chemistry, Medicinal
Gaoli Dong, Yingchun Jiang, Feng Zhang, Fengyun Zhu, Junna Liu, Zhi Xu
Summary: Cancer is a leading cause of death worldwide and chemotherapeutics play a critical role in cancer therapy. Triazine derivatives have shown potential as anticancer agents due to their excellent pharmacological profiles and ability to overcome drug resistance and reduce side effects. This review focuses on the anticancer activity, structure-activity relationships, and mechanisms of action of 1,2,3-, 1,2,4-, and 1,3,5-triazine hybrids developed from 2017 to the present.
ARCHIV DER PHARMAZIE
(2023)
Article
Chemistry, Multidisciplinary
Kajalben Bharatbhai Patel, Premlata Kumari
Summary: Flavones are natural products with significant biological activities, including anti-inflammatory, anticancer, antiviral, and antibacterial effects. This paper focuses on the anticancer activity of various flavone derivatives and their binding interactions with the PPAR gamma protein. The structure-activity relationships of flavone derivatives are also discussed.
STRUCTURAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Jaydeep A. Mokariya, Dhanji P. Rajani, Manish P. Patel
Summary: We successfully synthesized pyrazolyl-aryl-methyl-malononitrile derivatives using an efficient multicomponent synthetic approach. The synthesis showed green aspects and yielded clean products. The synthesized derivatives exhibited excellent antimicrobial activity, with compounds 4c and 4n showing the highest activity.
Article
Biochemistry & Molecular Biology
Ajayrajsinh R. Zala, Dhanji P. Rajani, Premlata Kumari
Summary: A series of novel piperazine based cinnamic acid bearing coumarin derivatives were synthesized and showed potent antibacterial and antifungal activities against various strains. Molecular docking study suggested that some compounds could be promising lead for developing more efficient antimicrobial drug candidates and DNA gyrase inhibitors.
JOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY
(2023)
Review
Chemistry, Physical
Kajalben B. Patel, Premlata Kumari
Summary: This review summarizes quinoline-based hybrids with antibacterial activity and their structure-activity relationship (SAR), providing insights into the improvement of quinoline-based antibiotics, especially against multidrug-resistant bacterial strains.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Inorganic & Nuclear
Mayank G. Sharma, Ruturajsinh M. Vala, Dhanji P. Rajani, Venkatachalam Ramkumar, Ramesh L. Gardas, Sourav Banerjee, Hitendra M. Patel
Summary: A solvent-free synthesis of 5-bromothiophene based 3,4-dihydropyrimidin-2-(1H)-(thi)ones was investigated in this study. The main advantages include the easy workup process to obtain pure products without the need for separation techniques, and the high yields achieved (66-80%). The synthesized compounds were characterized using various analytical techniques and evaluated for their antifungal and antibacterial activity, showing promising results. ADMET prediction revealed that all compounds possess drug-like properties.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
(2023)
Article
Biochemistry & Molecular Biology
Ajayrajsinh R. R. Zala, Dhanji P. P. Rajani, Iqrar Ahmad, Harun Patel, Premlata Kumari
Summary: A class of 2-(1H-imidazol-1-yl)-1-phenylethyl cinnamates and 2-(1H-benzo[d]imidazol-1-yl)-1-phenylethyl cinnamates were synthesized and their synthesis was validated using spectroscopic techniques. These compounds were tested for antibacterial and antifungal activities, with compounds 6g, 7b, 7f, and 7g showing significant activity against bacterial strains and compounds 6g, 7b, and 7g showing considerable activity against fungal strains. Molecular docking and MD simulation studies confirmed the antifungal activity and stability of these compounds. In silico ADME assessment suggested that these compounds have drug-like properties for oral bioavailability.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Ajayrajsinh R. Zala, Dinesh Kumar, Uvais Razakhan, Dhanji P. Rajani, Iqrar Ahmad, Harun Patel, Premlata Kumari
Summary: A novel series of s-triazine linked benzothiazole and coumarin hybrids were synthesized and characterized. In vitro antimicrobial analysis showed remarkable antibacterial and antifungal activities of these compounds. Molecular docking studies indicated that the synthesized hybrids maintained their molecular interaction and structural integrity inside the active pocket of S. aureus dihydropteroate synthetase. The in silico analyses supported the outstanding antibacterial efficacy of compound 6d.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Physical
Kajalben B. Patel, Sudipta Mukherjee, Hardik Bhatt, Dhanji Rajani, Iqrar Ahmad, Harun Patel, Premlata Kumari
Summary: Structurally diversified coumarin analogs exhibit significant affinity with different molecular targets. 4-hydroxy-7-methylcoumarin was synthesized and further modified to 4-bromopropoxycoumarin derivatives. Novel piperazines containing coumarin were synthesized from these derivatives. The synthesized analogs showed potent antibacterial and anticancer activity, with compound 6 demonstrating excellent activity against the MCF-7 cell line.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Ajayrajsinh R. Zala, Dhanji P. Rajani, Premlata Kumari
Summary: To combat infections and drug resistance, novel piperidine-bearing cinnamic acid hybrids were synthesized and validated using various spectroscopic techniques. The compounds showed significant antimicrobial activity, with compound 4l demonstrating high activity against Pseudomonas aeruginosa and Escherichia coli, and compounds 4a, 4d, 4e, and 4l exhibiting considerable activity against fungal strains. In silico studies indicated favorable drug-like properties, and molecular docking studies suggested potential antifungal properties.
JOURNAL OF THE IRANIAN CHEMICAL SOCIETY
(2023)
Article
Biochemistry & Molecular Biology
Jigarkumar V. Mendapara, Mahesh D. Vaghasiya, Dhanji P. Rajani, Iqrar Ahmad, Harun Patel, Premlata Kumari
Summary: Cu alkyne-azide cycloaddition was used to synthesize a library of novel heterocycles containing benzimidazole and piperidine based 1,2,3-triazole(7a-7l) derivatives. The synthesized compounds were characterized by various spectroscopic techniques and evaluated for in vitro antibacterial and antifungal efficacy. Compound 7k showed potent activity against Escherichia coli and interacted with the active site of the E. coli DNA gyrase protein.
JOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Kajalben B. B. Patel, Rahul V. V. Patel, Iqrar Ahmad, Dhanji Rajani, Harun Patel, Sudipta Mukherjee, Premlata Kumari
Summary: A series of chrysin derivatives with propyl and butyl substitutions were synthesized and evaluated for their antibacterial activity. The compounds showed remarkable inhibition against E. coli and S. aureus, with compound 12 exhibiting significant activity against both strains. The stability and conformation of the synthesized inhibitors were analyzed through MD simulation and binding free energy analysis.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Review
Chemistry, Multidisciplinary
Ajayrajsinh R. Zala, Premlata Kumari
Summary: Nitrogen-containing benzimidazole, piperazine, and piperidine are important pharmacophores in medicinal chemistry and drug development. This review focuses on their development and broad range of pharmacological actions, highlighting their potential for treating various disorders.
Article
Chemistry, Physical
Mahesh D. Vaghasiya, Jigarkumar V. Mendapara, Shaileshkumar P. Vaghasiya, Dhanji P. Rajani, Iqrar Ahmad, Harun Patel, Premlata Kumari
Summary: Novel morpholine and piperazine-containing 4-thiazolidinone derivatives were synthesized to develop lead compounds with excellent antibacterial potency. Docking studies revealed strong and persistent interaction between the compounds and the target protein. Molecular dynamics simulations demonstrated the favorable binding conformation and stability of the most promising compound.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Pharmacology & Pharmacy
Azazahemad A. Kureshi, Hiral M. Vaghela, Satyanshu Kumar, Raghuraj Singh, Premlata Kumari
Summary: In this study, gold nanoparticles were successfully synthesized using aqueous extracts from the pericarps of fruits from two Garcinia species. The synthesized AuNPs showed promising biological properties including antioxidant, antibacterial, and cytotoxicity activities against breast cancer cells. The study highlighted the potential of utilizing medicinal plant extracts for green synthesis of AuNPs with significant biomedical applications.
PHARMACEUTICAL SCIENCES
(2021)
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)
