Article
Biochemistry & Molecular Biology
Francielle C. Lima, Yuri A. O. So, Ricardo Gargano, Diego M. de Oliveira, Claudia C. Gatto
Summary: This study synthesized two novel dithiocarbazate compounds and their Ni(II) complexes, analyzing their structures and pharmacological potential. The complexes showed remarkable cytotoxic activity against human breast cancer cells, with the complex exhibiting a better dose-response pattern at low concentrations.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2021)
Article
Chemistry, Physical
Magdy A. Ibrahim, Adel A. . A. . Emar, A. Taha, Omima M. I. Adly, A. I. Nabeel, Nesma Salah
Summary: A new ligand (HL) was synthesized and its metal complexes with Cu(II) ions were studied for their structural, antimicrobial, and antitumor activities. The results showed different geometrical arrangements of the complexes and significant activities against various bacteria, yeast, and fungus, as well as antitumor activity against Ehrlich Ascites Carcinoma cell line. Additionally, computational calculations were conducted to explore the possible structure and bonding nature of the ligand to metal ions.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Polymer Science
Yasmin M. Ahmed, Walaa H. Mahmoud, M. M. Omar, Gehad G. Mohamed
Summary: A tridentate Schiff base ligand and its transition metal complexes were prepared and fully characterized, showing different degrees of antimicrobial activities against various bacteria. The complexes were suggested to have an octahedral geometry based on elemental, magnetic susceptibility, and spectroscopic data.
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS
(2021)
Article
Chemistry, Applied
Safaa S. Hassan, Nashwa M. H. Rizk, Manal A. Khidr, Samar A. Aly
Summary: A new series of metal complexes were synthesized and their structural characterization was carried out using various techniques. The biological screening results showed that the Ru(III) complex exhibited the strongest antibacterial activity, while the Ag(I) complex showed the highest efficiency in terms of antitumor activity.
APPLIED ORGANOMETALLIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Yuliya A. Bryleva, Karina M. Yzhikova, Alexander V. Artem'ev, Maria P. Davydova, Mariana I. Rakhmanova, Evgenia V. Polyakova, Ludmila A. Glinskaya, Denis G. Samsonenko
Summary: Five new binuclear complexes [Ln(2)L(2)(H2O)(2)(NO3)(6)] (Ln = Sm, Eu, Gd, Tb, and Dy) based on 4,6-bis (diphenylphosphino)pyrimidine dioxide (L) have been synthesized and their luminescence properties have been studied. The complexes consist of two nine-coordinated Ln(III) atoms linked by two L ligands in a bridging manner. The Gd3+ complex shows ligand-centered emission, while the Tb3+ and Eu3+ complexes exhibit metal-centered phosphorescence only. The Sm3+ and Dy3+ complexes show both metal and ligand-centered emission.
Article
Biochemistry & Molecular Biology
Ahmed Gaber, Moamen S. Refat, Arafa A. M. Belal, Ibrahim M. El-Deen, Nader Hassan, Rozan Zakaria, Majid Alhomrani, Abdulhakeem S. Alamri, Walaa F. Alsanie, Essa M. Saied
Summary: The synthesis of eight new mononuclear and binuclear metal methoxy thiosemicarbazone complexes was reported, with characterization using various analytical techniques. The metal complexes showed improved antibacterial activity compared to the ligand alone, with Cu2+ complexes displaying significant antibacterial activity. The in silico molecular docking study indicated that the MTSC ligand could potentially inhibit the oxidoreductase protein.
Article
Chemistry, Multidisciplinary
Valerio Giuso, Jeannine Yang, Jeremy Forte, Heloise Dossmann, Chantal Daniel, Christophe Gourlaouen, Matteo Mauro, Benoit Bertrand
Summary: A series of binuclear gold complexes have been synthesized and characterized. These complexes exhibit long-lived yellow-green phosphorescence in the solid state with high photoluminescence quantum yields. Two of the complexes show promising antiproliferative activity against lung adenocarcinoma cells.
Review
Biochemistry & Molecular Biology
Filippo Basagni, Giambattista Marotta, Michela Rosini, Anna Minarini
Summary: Over the past two decades, the strategy of conjugating polyamine tails with bioactive molecules has been widely used to enhance their pharmacological profile. Polyamine transport is increased in many pathological conditions, suggesting that the polyamine portion could improve cellular uptake of the conjugate. This review provides an overview of the polyamine conjugate scenario and highlights achievements and future developments.
Review
Biochemistry & Molecular Biology
Ana Margarida Teixeira, Clara Sousa
Summary: Medicinal plants have been traditionally used to cure illnesses, and natural compounds extracted from plants, including the Camellia species, have garnered scientific attention in recent decades. Tea and oil extracted from Camellia sinensis and Camellia oleifera are the most valuable subproducts. Several studies report the health benefits of Camellia species, particularly their antimicrobial and antitumoral activities, as well as their abundance in polyphenols like catechins.
Article
Chemistry, Inorganic & Nuclear
Zahra Akbari, Morteza Montazerozohori, Shiva Joohari, Payam Hayati, Nicola Micale, Mariateresa Cristani, Giuseppe Bruno, Jonathan M. White
Summary: A bidentate Schiff base ligand and two new mono and binuclear cadmium(II) complexes were synthesized and characterized. The structures of the cadmium(II) complexes were determined using single crystal X-ray analysis. The compounds showed good antimicrobial and antioxidant activities.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Michaela Rendosova, Robert Gyepes, Ivana Cingel'ova Maruscakova, Dagmar Mudronova, Danica Sabolova, Martin Kello, Maria Vilkova, Miroslav Almasi, Veronika Huntosova, Ondrej Zemek, Zuzana Vargova
Summary: The novel silver(I) aminoacidate complexes AgVal and AgAsp exhibit good stability and demonstrate antibacterial, anti-colorectal cancer, and cytotoxic activities. They show a high selectivity index (SI) towards colorectal cancer cells and healthy cells, making them potential candidates for therapeutic drugs.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Medicinal
Xiaolei Liang, Jiexi Yan, Yingwei Lu, Shan Liu, Xiaojing Chai
Summary: Melectin, a novel potential drug candidate with antitumor and antibacterial activities, exerts its effects through membrane interference and DNA binding mechanisms, indicating promising prospects in combating multidrug resistance.
DRUG DESIGN DEVELOPMENT AND THERAPY
(2021)
Article
Chemistry, Inorganic & Nuclear
Fabio Marchetti, Riccardo Pettinari, Federico Verdicchio, Alessia Tombesi, Stefania Scuri, Sonila Xhafa, Laura Olivieri, Claudio Pettinari, Duane Choquesillo-Lazarte, Amalia Garcia-Garcia, Antonio Rodriguez-Dieguez, Agustin Galindo
Summary: Hydrazones and their metal derivatives are important compounds in medicinal chemistry, and this study focused on the synthesis, characterization, and tautomerism of hydra-zone-pyrazolone ligands and their zinc complexes. The antibacterial activity of these compounds was also evaluated, and promising results were obtained.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Medicinal
Cui Huo, Zongyuan Luo, Xiangli Ning, Xin Kang, Qin Yan, Yuying Guo, Guobo Li, Zhouyu Wang, Yuzhi Li, Shan Qian
Summary: In this study, we investigated the inhibition of tryptophan-2,3-dioxygenase (TDO) and indoleamine-2, 3-dioxygenase 1 (IDO1) and designed and synthesized a series of nitro-aryl 1H-indazole derivatives. Among these derivatives, HT-28 and HT-30 demonstrated nanomolar potency and excellent selectivity against TDO, while HT-37 showed dual-target inhibitory activity against IDO1 and TDO. Furthermore, HT-28 exhibited significant tumoricidal effects on multiple tumor cell lines.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Chemistry, Physical
Maha S. A. Abdelrahman, Fouz M. Omar, Akila A. Saleh, Mosad A. El-ghamry
Summary: New nano complexes of Co(II), Ni(II), Cu(II), Zn(II), Fe(III), and oxovanadium(IV), dioxouranium(VI) with a pyridazinone-acid hydrazone ligand, DCNHP (H2L), were synthesized and characterized. The complexes exhibited different geometrical structures and showed thermal stability. The antimicrobial activity study revealed enhanced activity upon complexation, and the antitumor screening indicated inhibition of Hepatocellular carcinoma cell line (HepG-2) viability. Molecular modeling and docking studies indicated strong interactions with the VEGFR-2 enzyme, similar to a known HCC inhibitor, sorafenib. The electrical conductivity study showed that the nano Cu(II) complex displayed higher values than the free ligand, acting as a semiconductor.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
A. Taha, A. A. M. Farag, O. M. I. Adly, N. Roushdy, Magdy Shebl, H. M. Ahmed
JOURNAL OF MOLECULAR STRUCTURE
(2017)
Article
Chemistry, Physical
Magdy Shebl, Omima M. I. Adly, A. Taha, N. N. Elabd
JOURNAL OF MOLECULAR STRUCTURE
(2017)
Article
Chemistry, Physical
A. Taha, A. A. M. Farag, O. M. I. Adly, N. Roushdy, Magdy Shebl, H. M. Ahmed
JOURNAL OF MOLECULAR STRUCTURE
(2017)
Article
Chemistry, Physical
Magdy Shebl, Omima M. I. Adly, Ebtesam M. Abdelrhman, B. A. El-Shetary
JOURNAL OF MOLECULAR STRUCTURE
(2017)
Article
Chemistry, Physical
H. F. El-Shafiy, Magdy Shebl
JOURNAL OF MOLECULAR STRUCTURE
(2018)
Article
Chemistry, Applied
Magdy Shebl, Saied M. E. Khalil, Mona A. A. Kishk, Doaa M. El-Mekkawi, M. Saif
APPLIED ORGANOMETALLIC CHEMISTRY
(2019)
Article
Chemistry, Physical
Sameh G. Sanad, Magdy Shebl
JOURNAL OF MOLECULAR LIQUIDS
(2019)
Article
Chemistry, Physical
Omima M. Adly, Hoda F. El-Shafiy, Magdy Shebl
JOURNAL OF MOLECULAR STRUCTURE
(2019)
Article
Chemistry, Applied
Fatma Samy, Magdy Shebl
APPLIED ORGANOMETALLIC CHEMISTRY
(2020)
Article
Chemistry, Inorganic & Nuclear
Magdy Shebl, Akila A. Saleh, Saied M. E. Khalil, Magdah Dawy, Amira A. M. Ali
Summary: New mononuclear copper(II), nickel(II) and cobalt(II) hydrazone complexes of 2-cyano-N '-((4-oxo-4H-chromen-3-yl)methylene)acetohydrazide have been synthesized and characterized through various physicochemical and spectroscopic techniques, illustrating their coordination properties and geometries. Additionally, the phenoxazinone synthase activity of the copper(II) complexes and antimicrobial activity of the hydrazone ligand and its complexes were studied and discussed.
INORGANIC AND NANO-METAL CHEMISTRY
(2021)
Article
Chemistry, Applied
Ebtesam M. Abdelrhman, B. A. El-Shetary, Magdy Shebl, Omima M. I. Adly
Summary: A new hydrazone ligand was synthesized and used to form copper(II) hydrazone complexes, which showed antitumor activity against HepG2 cell line. The structures of the complexes were characterized using various analytical techniques, and the docking study with CDK2 kinase active site was conducted to further investigate their potential applications in cancer treatment.
APPLIED ORGANOMETALLIC CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Sameh G. Sanad, Magdy Shebl
MATERIALS CHEMISTRY AND PHYSICS
(2020)
Article
Chemistry, Physical
Omima M. Adly, Magdy Shebl, Ebtesam M. Abdelrhman, B. A. El-Shetary
JOURNAL OF MOLECULAR STRUCTURE
(2020)
Article
Chemistry, Multidisciplinary
Fatma Samy, H. S. Seleem, A. Taha, Magdy Shebl, F. I. Hanafy
EGYPTIAN JOURNAL OF CHEMISTRY
(2019)
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)