Article
Biochemistry & Molecular Biology
Anna Sykula, Adriana Nowak, Eugenio Garribba, Aliaksandr Dzeikala, Magdalena Rowinska-Zyrek, Justyna Czerwinska, Waldemar Maniukiewicz, Elzbieta Lodyga-Chruscinska
Summary: The three Schiff base ligands derived from hesperetin and their copper complexes were studied and characterized by various spectroscopic methods. The genotoxic activity of the compounds was tested on cancer cell lines and normal cell lines. The results showed that the ligands acted as neutral tridentate ligands in the acetate complexes, and the copper complexes displayed lower genotoxicity compared to the ligands in HeLa cells. In Caco-2 cells, HHSB and HTSC induced the most DNA damage, while CuHHSB and CuHTSC induced the highest DNA damage in LLC-PK1 cells.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Bhushan S. Sail, Vinod H. Naik, B. M. Prasanna, Naushad Ahmad, Mohammad Rizwan Khan, M. R. Jagadeesh, Ravikumar Cheedarala
Summary: Many Schiff bases derived from 2-hydrazinobenzothiazole and isatin have been used to form [ML2]Cl2 type Co(II) complexes. Nitrogen from azomethine, oxygen from lactonyl, and nitrogen atoms of the thiazole ring contribute to coordinating the metallic ion. The complexes consist entirely of metal and have a geometrical octahedron structure, as confirmed by analytical, magnetic, and spectroscopic investigations.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Review
Biochemistry & Molecular Biology
Maria Stefania Sinicropi, Jessica Ceramella, Domenico Iacopetta, Alessia Catalano, Annaluisa Mariconda, Camillo Rosano, Carmela Saturnino, Hussein El-Kashef, Pasquale Longo
Summary: This article summarizes the important role of metal complexes in pharmaceutical sciences, focusing on the antimicrobial and antiproliferative activities of Schiff bases (SBs) metal complexes, as well as recent studies on various biological activities of mononuclear and binuclear SB complexes.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Applied
Desislav Dinev, Katya B. Popova, Tanya Zhivkova, Lora Dyakova, Abedullkader Abudalleh, Radostina Alexandrova, Daniela C. Culita, Teodora Mocanu, Catalin Maxim, Gabriela Marinescu
Summary: Two new families of Cu(II) and Co(II) mononuclear complexes with mixed ligands were successfully synthesized and characterized. Biological evaluation showed that these complexes exhibit cytotoxic effects on HeLa and LSR-SF-SR cells.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Giriraj Kalaiarasi, Pathinathan Senthilrajkapoor, Ramasamy Indumathy
Summary: Four new bivalent ruthenium(II) organometallic complexes were synthesized and characterized. The complexes showed significant antimicrobial activity and anticancer potential, exceeding that of their parent ligands and the standard drug cisplatin.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Biochemistry & Molecular Biology
Cynthia Sinai Novoa-Ramirez, Areli Silva-Becerril, Mauricio Misael Gonzalez-Ballesteros, Virginia Gomez-Vidal, Marcos Flores-Alamo, Luis Ortiz-Frade, Jesus Gracia-Mora, Lena Ruiz-Azuara
Summary: We synthesized and characterized nine copper(II) compounds, including four with the general formula [Cu(NNO)(NO3)] and five mixed chelates [Cu(NNO)(N-N)]+. The compounds showed different geometries in solution, with some having square-planar or square-based pyramid structures. The complexes exhibited biological activity, and the mixed compounds showed higher activity. The study also found that the less oxidizing species with a greater number of conjugated rings had better biological activity.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Elizabeth Navarrete, Pilar Morales, Michelle Munoz-Osses, Yesseny Vasquez-Martinez, Fernando Godoy, Tamara Maldonado, Angel A. Marti, Erick Flores, Carolina Mascayano
Summary: In the search for new 5-LOX inhibitors, two ferrocenyl Schiff base complexes (3a and 3b) were synthesized and evaluated. Both complexes showed potent inhibition against 5-LOX compared to their organic analogs and known commercial inhibitors. Molecular dynamic studies revealed a preferential orientation of the ferrocenyl fragment towards the non-heme iron of 5-LOX, supporting a proposed competitive redox deactivation mechanism. SWV analysis confirmed the stability of the Schiff bases in the biological medium, making them promising alternatives for pharmacological applications.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Sandra Fernandez-Farina, Isabel Velo-Heleno, Miguel Martinez-Calvo, Marcelino Maneiro, Rosa Pedrido, Ana M. Gonzalez-Noya
Summary: In this study, two new neutral copper(II) helicates, [Cu-2(L-1)(2)].4CH(3)CN and [Cu-2(L-2)(2)].CH3CN, were synthesized using an electrochemical method. The ligand design and the resulting metallosupramolecular structure were investigated. The magnetic properties of the copper(II) helicates were characterized using EPR spectroscopy and DC magnetic susceptibility measurements.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Ahmed R. E. Mahdy, Ola A. Abu Ali, Waleed M. Serag, Eman Fayad, Reda F. M. Elshaarawy, Emad M. Gad
Summary: A series of azo-functionalized Schiff base ligands containing different imidazole derivatives and their Co(II)/Zn(II) complexes were synthesized and characterized. The metal complexes exhibited higher thermal stability and showed inhibitory activity against breast carcinoma cells. The most potent and selective anti-breast cancer agent was found to be CoL3.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Saira Manzoor, Rana Adnan Tahir, Muhammad Adnan Younis, Wen-Li Cao, Qamar-un-nisa Tariq, Amjad Ali, Naushad Ahmad, Chuntian Qiu, Bingbing Tian, Jian-Guo Zhang
Summary: In this study, a series of pyrimidine-derived Schiff bases were synthesized and evaluated for their antibacterial, antioxidant, antifungal, and anticancer activities. The computational docking analysis showed that these compounds exhibited better binding affinities compared to standard drugs.
BIOORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Kaiming Zhang, Qin Zhang, Xiuyang Wang, Jian Yue, Tong Ni, Bin Xu, Xiaoqiang Liu, Weidong Jiang
Summary: Three new copper (II) complexes were synthesized and characterized, and their catalytic activities in the hydrolysis reactions were investigated. The results showed that these complexes can significantly accelerate the hydrolysis of nitrophenyl esters under certain conditions.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Biochemistry & Molecular Biology
Marek Pajak, Magdalena Wozniczka, Marta E. Lichawska, Bartlomiej Czerwinski, Jakub Wlodarczyk, Jakub Fichna
Summary: This study investigates the complexation properties of oxime-containing Schiff bases with Co(II) ions and their potential application as synthetic oxygen transporters. The obtained data can contribute to the development of oxygen bioinorganic complexes and catalytic activity research.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Applied
Adel Z. El-Sonbati, Mostafa A. Diab, Ahmed K. El-Sayed, Mohamed Abou-Dobara, Sameh A. El-Sayad
Summary: Metal complexes of a Schiff base ligand derived from 2,4-dihydroxybenzaldehyde and p-nitroaniline were synthesized and characterized. The complexes showed antibacterial, antifungal, and cytotoxic activities, and the ligand exhibited high binding affinity to various receptors.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
C. E. Satheesh, Raghavendra P. Kumar, P. A. Suchetan, H. Rajanaika, S. Foro
Summary: Two new Schiff bases have been synthesized and their complexes showed moderate antibacterial activity and significant antifungal activity. The metal complexes exhibited higher activity than their corresponding free ligands, with zinc complexes showing higher antibacterial activity compared to copper ones.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Inorganic & Nuclear
P. Jyothi, V. Sumalatha, D. Rajitha
Summary: Three Co(II) complexes were synthesized and characterized, showing good DNA binding, antimicrobial, and anticancer activities.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Xinlei Chen, Shiyi Chen, Xuele Lin, Jingxuan Zhou, Xingjun Gao, Yaoqi Zhen, Xiaodan Ma, Shouwen Jin, Linfang Shi, Hui Liu, Daqi Wang
Summary: Nine mixed-ligand Cd2+ complexes with different geometric structures were synthesized and characterized. The complexes exhibit various coordination modes and form both intra- and intermolecular hydrogen bonds.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Rupali Mahajan, Abhishek Sharma, Bhagyashree Patra, Lijo Mani, Parul Grover, Sandeep Kumar, Santosh Kumar Guru, Gananadhamu Samanthula, Amol G. Dikundwar, Amit Asthana
Summary: This research article provides a comprehensive characterization and toxicological assessment of a photoisomeric impurity of the antianemic drug Roxadustat. The impurity has a distinct structure compared to the drug and its formation due to light exposure is a concern. Through various experiments, including single crystal XRD, physicochemical characterization, and in vitro cytotoxicity assays, the researchers confirmed the structure of the impurity, evaluated its conversion with Roxadustat, and assessed its toxicological activity. These findings contribute to the understanding of drug stability, safety, and formulation development.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Laila S. Alqarni, Azzah M. Alghamdi, Nuha Y. Elamin, A. Rajeh
Summary: The solution casting method was used to produce a new type of nanocomposites made of chitosan, gelatin, and co-doped ZnO nanoparticles. The addition of 3.5% co-doped ZnO nanoparticles improved the physicochemical characteristics and antimicrobial effects of the nanocomposites, indicating their significant potential in food packaging and energy storage.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ruchi Gaur
Summary: The structure and intermolecular interactions of a newly synthesized bis-chalcone THXA were studied using experimental and computational methods. The importance of non-covalent interactions such as pi center dot center dot center dot pi, C-H center dot center dot center dot S, and C-H center dot center dot center dot pi was revealed.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Andrii Bazylevich, Leonid Patsenker, Sarit Aviel-Ronen, Gary Gellerman
Summary: Drug combination therapy is commonly used for treating various skin disorders, but its effectiveness is often limited. In this study, researchers synthesized conjugates of anti-pigmenting drugs and hyaluronic acid (HA) to improve treatment efficacy. These HA-drug conjugates exhibited measurable drug release profiles and demonstrated superior depigmentation effects compared to control groups in a swine model.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Xiaodan Ma, Xinlei Chen, Yaoqi Zhen, Xunjie Zheng, Chengzhe Shi, Shouwen Jin, Bin Liu, Bin Chen, Daqi Wang
Summary: Cocrystallization experiments between minoxidil and aryl acids coformers resulted in the successful formation of multi-component samples. The nature of these samples was determined using various techniques and their structural and supramolecular aspects were investigated. The outcomes revealed the importance of nonbonding contacts and different types of interactions in stabilizing and expanding the crystal structures.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Najla A. Alshaye, Magdy A. Ibrahim, Al-Shimaa Badran
Summary: The chemical behavior of 3-substituted-6,8-dimethylchromones towards phenylhydrazine was examined. Different reaction conditions produced various products, and the molecular geometries and reactivity descriptors of the compounds were also investigated. The results suggest that these compounds are suitable for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Hayette Alliouche, Houria Bouria, Rafik Bensegueni, Mounia Guergouri, Abdelmalek Bouraiou, Ali Belfaitah
Summary: In this paper, a combined experimental and theoretical study was conducted to synthesize and characterize new 2-quinolone-piperidine and -morpholine hybrids. The results from experiments were validated using computational calculations, and the affinity between these compounds and Acetylcholinesterase/Butyrylcholinesterase was estimated through molecular docking.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Wei-Min Chen, Juan-Juan Shao, Yi Zhang, Zhen-Dong Xue, Peng-Lai Liu, Jian-Ling Ni, Li-Zhuang Chen, Qiang Gao, Fang-Ming Wang
Summary: This study synthesized and characterized a novel Mn-based LMOF, and achieved good results in detecting heavy metal Al3+ in water, showing good stability, high selectivity and sensitivity. This provides new insights into the potential applications of Mn-based MOFs in chemical sensing.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Jun-Xia Li, Yi-Jing Lu, Ke-Ying Quan, Li-Bing Wu, Xun Feng, Wei-Zhou Wang
Summary: This study synthesized two cobalt(II) complexes and analyzed their crystal structures using single-crystal X-ray diffraction. The results showed that the crystal structures of these complexes were different, and they exhibited different crystal packing and magnetic properties.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Yang Li, Yan Zhang, Hong Xu, Min Li, Zhen Li, Zi-yu Song, Ji-shi Chen, Yan-Jun Liu, Yong Sun, Zhao Yang
Summary: This study reports the synthesis and solid-state characterization of a new pharmaceutical cocrystal, PRO-BPE, which can enhance the solubility of the highly water-insoluble prodrug probenecid. The PRO-BPE cocrystals were found to have superior water solubility compared to pure PRO. This research provides valuable insights into improving the solubility of poorly soluble drugs.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Lucas G. B. Felicio, Bianca B. M. Vieira, Ivana S. Lula, Renata Diniz, Frank Alexis, Flavio B. Miguz, Frederico B. De Sousa
Summary: A novel spiropyran derivative was synthesized for heavy metals sensing in water. The results demonstrated that the new derivative can serve as a rapid, sensitive, and simple tool for detecting Hg2+ ions in water with high selectivity.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Junqing Meng, Jie Wang, Lijuan Wang, Chunhui Lyu, Haiyan Chen, Yingpei Lyu, Baisheng Nie
Summary: Material modification with low surface energy can achieve lower surface free energy on micro-and nano-rough structures, which is crucial for developing superhydrophobic surfaces. In this study, attapulgite (APT) was modified with alkylamine, alkylammonium salt, and stearic acid, and the interaction between low surface materials and attapulgite was explained. The results showed that the hydrophobicity of APT was significantly modified by the modifiers, and the surface free energy of the composites first decreased and then increased with increasing molecular number of low surface energy monomers.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Karan Goswami, Dipak Das, Parthasarathi Bera, Sounak Roy, Md. Motin Seikh, Prasanta Kumar Sinha, Arup Gayen
Summary: This work presents the development of a simple and highly active heterogeneous Pd catalyst for Suzuki-Miyaura carbon-carbon cross-coupling reaction. The NiPdFe-1 catalyst shows the best activity and stability among the prepared catalysts. It efficiently promotes the coupling reaction between aryl bromide and phenyl boronic acid under mild reaction conditions with high isolated yields.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ekta Pardhi, Devendra Singh Tomar, Rahul Khemchandani, Gananadhamu Samanthula, Pankaj Kumar Singh, Neelesh Kumar Mehra
Summary: The main aim of this study was to prepare a drug-drug coamorphous system to improve the physiochemical properties, solubility and stability of Apremilast and Indomethacin. Various solid-state characterization techniques were used to characterize the prepared system. Molecular level interactions were studied using molecular modeling and ATR-FTIR and 1H NMR. Solubility and dissolution studies showed the benefits of the coamorphous system. The system was found to be stable for a period of five months. Permeation study also demonstrated improved flux for both drugs compared to their crystalline forms. The coamorphous system showed anti-psoriatic and anti-melanogenic activity based on molecular docking results. Overall, the developed CAM-based supersaturated system exhibited improved physicochemical properties and physical stability.
JOURNAL OF MOLECULAR STRUCTURE
(2024)