Article
Biochemistry & Molecular Biology
Natalie Oberhuber, Hindole Ghosh, Bianca Nitzsche, Prasad Dandawate, Michael Hoepfner, Rainer Schobert, Bernhard Biersack
Summary: New N-alkylindole-substituted 2-(pyrid-3-yl)-acrylonitriles and their (p-cymene)Ru(II) piano-stool complexes were synthesized and found to exhibit potent antiproliferative activity in various cancer models. Some of the derivatives showed lower IC50 values than clinically relevant multikinase inhibitors gefitinib and sorafenib, indicating their potential as novel therapeutic agents for cancer treatment. The investigation of drug mechanism in HCT-116 p53-knockout colon cancer cells revealed that the derivatives induced apoptotic caspase-3/7 activity, ROS formation, and anti-angiogenic properties.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Molood Naziri, Masoud Mokhtary, Fariba Safa
Summary: Fifteen new substituted quinazoline analogs were successfully synthesized through the reaction of 7-(2-chloroethoxy)-6-methoxy-N-arylquinazoline-4-amine and secondary amines. The cytotoxicity of the synthesized compounds on HU02 and A431 cell lines was evaluated using MTT method. Compound 3f carrying piperidine with 3-chloroaniline showed the highest cytotoxicity, while cytotoxicity against HU02 cells was not favorable. Molecular docking analysis revealed a smaller hydrogen bond distance between quinazoline N1 and the Met-769 residue of EGFR in compound 3f, indicating its greater cytotoxicity.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Medicinal
Camelia Elena Stecoza, George Mihai Nitulescu, Constantin Draghici, Miron Teodor Caproiu, Octavian Tudorel Olaru, Marinela Bostan, Mirela Mihaila
Summary: Novel 2,5-diaryl/heteroaryl-1,3,4-oxadiazoles were synthesized and evaluated for their anticancer potential, with one compound showing promising effects on a breast cancer cell line. Predictive studies indicated STAT3 and miR-21 as potential pharmacological targets for the compounds, while toxicity tests showed low risks for the most effective compound.
Article
Chemistry, Inorganic & Nuclear
Feriannys Rivas, Andrea Medeiros, Cristina Quiroga, Diego Benitez, Marcelo Comini, Esteban Rodriguez-Arce, Ignacio Machado, Hugo Cerecetto, Dinorah Gambino
Summary: The study synthesized new Pd-Fe heterobimetallic compounds that showed promising activity against Trypanosoma brucei. A quantitative structure-activity relationships study highlighted the importance of electronic effects, lipophilicity, and metal type in determining the anti-T. brucei activity of compounds.
DALTON TRANSACTIONS
(2021)
Article
Biochemistry & Molecular Biology
Sachin Sudhakar Wazalwar, Anita Ravindra Banpurkar, Franc Perdih
Summary: This study reports the synthesis of novel isoxazole derivatives and their molecular docking with enzymes from the CYP450 family. The compounds showed good docking scores compared to reference drugs and exhibited strong affinity for various CYP450 proteins, indicating their potential as drug candidates.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Biochemistry & Molecular Biology
Nareman A. Nawareg, Amany S. Mostafa, Shahenda M. El-Messery, Magda N. A. Nasr
Summary: New benzimidazole hybrids were synthesized as potential human TopoII inhibitors, with compound 21 showing the most potent anticancer activity. Further studies revealed compounds 13 and 20 as the most active TopoII inhibitors with strong apoptosis-inducing effects on cancer cells.
BIOORGANIC CHEMISTRY
(2022)
Review
Chemistry, Inorganic & Nuclear
Thimma Subramanian Prathima, Badruzzaman Choudhury, Md. Gulzar Ahmad, Kaushik Chanda, M. M. Balamurali
Summary: Numerous biologically active metal complexes have been reported for their unique features and enhanced functions in inhibiting cancer progression. However, many of these drugs have failed at various levels of clinical trials despite performing well in the laboratory.
COORDINATION CHEMISTRY REVIEWS
(2023)
Article
Chemistry, Multidisciplinary
Omer A. Azher, Aisha Hossan, Rami A. Pashameah, Amerah Alsoliemy, Arwa Alharbi, Turki M. Habeebullah, Nashwa M. El-Metwaly
Summary: In this study, a series of substituted pyrazolopyrimidine analogues were synthesized and their properties and anticancer activity were investigated. The results showed that certain compounds exhibited remarkable cytotoxicity against MCF-7 and Hep-2 cell lines.
ARABIAN JOURNAL OF CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Marta Orts-Arroyo, Fernanda Gutierrez, Anabel Gil-Tebar, Maider Ibarrola-Villava, Elena Jimenez-Marti, Adriana Silvestre-Llora, Isabel Castro, Gloria Ribas, Jose Martinez-Lillo
Summary: Metal complexes based on purine nucleobases are valuable tools in biomedical applications, including disease diagnosis and treatment. In this study, a novel dinuclear ruthenium(III) complex based on adenine nucleobase was prepared and characterized using various techniques. Cell viability assays showed that the complex exhibited an incipient anticancer effect on a gastric cancer cell line.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Olga Cruz-Lopez, Matilde Ner, Francho Nerin-Fonz, Yaiza Jimenez-Martinez, David Araripe, Juan A. Marchal, Houria Boulaiz, Hugo Gutierrez-de-Teran, Joaquin M. Campos, Ana Conejo-Garcia
Summary: A series of new compounds were synthesized and investigated for their inhibition against HER2 and tumor cell lines, with compounds 9a and 7c showing the most potent activity. Compound 7c increased caspase 1 expression and promoted pyroptosis, indicating a different effect on proteinase expression compared to compound 9a.
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Medicinal
Xiaojing Sun, Lin Xing, Jieying Yuan, Enxiao Wang, Yuxin Ding, Ruilong Sheng, Fang Wang, Wenhui Wu, Xiuwei H. Yang, Ruihua Guo
Summary: In this study, a new series of DEM derivatives were synthesized by modifying active groups in the chemical structure of DEM. Among them, derivative 7 showed remarkable inhibitory effect on three human cancer cell lines (A549, HCT116, and HeLa) and induced apoptosis in tumor cells.
Article
Chemistry, Applied
Rais Ahmad Khan, Amal AlFawaz, Nida N. Farshori, Anup Paul, Mohammed H. Jaafar, Ali Alsalme
Summary: Two organometallic ruthenium (II) complexes containing analogs of aminobenzimidazole were synthesized and characterized. Their binding affinity with human serum albumin and cytotoxic potential against cancer cells were evaluated. One of the complexes showed promising cytotoxic properties, indicating its potential as an anticancer therapeutic.
APPLIED ORGANOMETALLIC CHEMISTRY
(2022)
Article
Chemistry, Medicinal
Suaad Abdallah Audat, Qosay Ali Al-Balas, Buthina Abdallah Al-Oudat, Mo'ad Jamil Athamneh, Amanda Bryant-Friedrich
Summary: In this study, a series of 1,4-benzenesulfonamide derivatives were designed, synthesized, and evaluated as glyoxalase I inhibitors. The results showed that compounds 26 and 28 exhibited potent inhibitory activity and can bind well to glyoxalase I.
DRUG DESIGN DEVELOPMENT AND THERAPY
(2022)
Article
Biochemistry & Molecular Biology
Nadia A. Khalil, Eman M. Ahmed, Ashraf F. Zaher, Shimaa M. Alhamaky, Nada Osama, Mona S. El-Zoghbi
Summary: New benzothienopyran and benzothienopyranopyrimidine derivatives were synthesized as potential topoisomerase I inhibitors, exhibiting strong cytotoxic activity against human tumor cell lines. Eight compounds demonstrated broad spectrum and potent anticancer efficacy, while three compounds showed excellent inhibitory activity in DNA relaxation assay. Compound 4d arrested cell growth at S phase and demonstrated similar binding pattern to indenoisoquinoline reference drug, indicating its potential as a Topo I inhibitor.
BIOORGANIC CHEMISTRY
(2023)
Article
Chemistry, Medicinal
Er-Jun Hao, Gong-Xin Li, Yu-Ru Liang, Ming-Sheng Xie, Dong-Chao Wang, Xiao-Han Jiang, Jia-Yi Cheng, Zhi-Xian Shi, Yang Wang, Hai-Ming Guo
Summary: The study designed, synthesized, and evaluated 103 novel acyclic nucleosides for their anticancer activities, with compound 9b showing promising inhibitory effects on colon cancer cells. All (R)-configured derivatives displayed stronger anticancer activity, with compound 9b inducing apoptosis and inhibiting colony formation. Importantly, compound 9b exhibited low systemic toxicity and inhibited tumor growth in a mouse model, suggesting it as a potential lead compound for future anticancer drug discovery.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Nan Zhang, Jorrit Schaefer, Amit Sharma, Lucy Rayner, Xiaodong Zhang, Roman Tuma, Peter Stockley, Martin Buck
JOURNAL OF MOLECULAR BIOLOGY
(2015)
Article
Biochemistry & Molecular Biology
Alexander Borodavka, James Ault, Peter G. Stockley, Roman Tuma
NUCLEIC ACIDS RESEARCH
(2015)
Article
Multidisciplinary Sciences
Nikesh Patel, Eric C. Dykeman, Robert H. A. Coutts, George P. Lomonossoff, David J. Rowlands, Simon E. V. Phillips, Neil Ranson, Reidun Twarock, Roman Tuma, Peter G. Stockley
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2015)
Article
Biophysics
Alexander Borodavka, Surendra W. Singaram, Peter G. Stockley, William M. Gelbart, Avinoam Ben-Shaul, Roman Tuma
BIOPHYSICAL JOURNAL
(2016)
Article
Biochemistry & Molecular Biology
Ottar Rolfsson, Stefani Middleton, Iain W. Manfield, Simon J. White, Baochang Fan, Robert Vaughan, Neil A. Ranson, Eric Dykeman, Reidun Twarock, James Ford, C. Cheng Kao, Peter G. Stockley
JOURNAL OF MOLECULAR BIOLOGY
(2016)
Article
Multidisciplinary Sciences
H. Stewart, R. J. Bingham, S. J. White, E. C. Dykeman, C. Zothner, A. K. Tuplin, P. G. Stockley, R. Twarock, M. Harris
SCIENTIFIC REPORTS
(2016)
Article
Multidisciplinary Sciences
Nikesh Patel, Emma Wroblewski, German Leonov, Simon E. V. Phillips, Roman Tuma, Reidun Twarock, Peter G. Stockley
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2017)
Article
Multidisciplinary Sciences
Shabih Shakeel, Eric C. Dykeman, Simon J. White, Ari Ora, Joseph J. B. Cockburn, Sarah J. Butcher, Peter G. Stockley, Reidun Twarock
NATURE COMMUNICATIONS
(2017)
Article
Microbiology
Nikesh Patel, Simon J. White, Rebecca F. Thompson, Richard Bingham, Eva U. Weiss, Daniel P. Maskell, Adam Zlotnick, Eric C. Dykeman, Roman Tuma, Reidun Twarock, Neil A. Ranson, Peter G. Stockley
NATURE MICROBIOLOGY
(2017)
Letter
Multidisciplinary Sciences
Reidun Twarock, German Leonov, Peter G. Stockley
NATURE COMMUNICATIONS
(2018)
Article
Virology
Reidun Twarock, Richard J. Bingham, Eric C. Dykeman, Peter G. Stockley
CURRENT OPINION IN VIROLOGY
(2018)
Review
Virology
Matthew J. Burke, Peter G. Stockley, Joan Boyes
Article
Virology
Farzad Fatehi, Richard J. Bingham, Eric C. Dykeman, Nikesh Patel, Peter G. Stockley, Reidun Twarock
Summary: This study presents a comprehensive model of intracellular HBV infection dynamics, revealing previously unsuspected kinetic behavior in the formation of sub-viral particles and the effectiveness of combination therapies with multiple capsid assembly inhibitors.
Article
Multidisciplinary Sciences
F. Fatehi, R. J. Bingham, E. C. Dykeman, P. G. Stockley, R. Twarock
Summary: Within-host models of COVID-19 infection dynamics were used to assess different forms of antiviral therapy in individual patients. The study revealed that combining antiviral and convalescent plasma therapy can effectively reduce the length of infection, but these synergistic effects decline with delayed treatment initiation. Early treatment with either therapy alone may actually prolong the duration of infection, suggesting careful control of these treatments in a clinical setting.
ROYAL SOCIETY OPEN SCIENCE
(2021)
Article
Biology
Nikesh Patel, Sam Clark, Eva U. Weiss, Carlos P. Mata, Jen Bohon, Erik R. Farquhar, Daniel P. Maskell, Neil A. Ranson, Reidun Twarock, Peter G. Stockley
Summary: The study investigated the roles of RNA sequence/structure motifs and Packaging Signals (PSs) in regulating assembly of an HBV genome transcript, revealing their crucial importance for correct assembly of core protein and RNA, and suggesting potential similar roles in vivo in coordination with other molecular factors.
COMMUNICATIONS BIOLOGY
(2021)
Article
Chemistry, Inorganic & Nuclear
Vaibhav Bedi, Dipendu Mandal, Zahid Hussain, Shi-Ming Chen, Yile Wu, Zheng-Wang Qu, Stefan Grimme, Douglas W. Stephan
Summary: The reaction of (tBuO(2)CN)(2) with 9-BBN leads to the formation of a bicyclic heterocyclic compound, while its reactions with BF3 or [Et3Si][B(C6F5)(4)] result in the isolation of different compounds. Computational studies reveal that the steric and electronic properties of the Lewis acid are important in the formation of one of the compounds.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chisa Itoh, Haruka Yoshino, Taku Kitayama, Wataru Kosaka, Hitoshi Miyasaka
Summary: A new synthetic route for constructing functional paddlewheel diruthenium(II,II) complexes was developed, utilizing Schiff base condensation reactions. The attached Schiff base groups significantly affected the electronic states of the resulting complexes, as revealed by cyclic voltammetry and DFT calculations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Danrui Ni, Haozhe Wang, Xianghan Xu, Weiwei Xie, Robert J. Cava
Summary: A layered rhombohedral polymorph of indium(iii) triiodide is synthesized at high pressure and temperature. It has an orange color, which is different from ambient pressure InI3, which has a monoclinic molecular structure and a light-yellow color.
DALTON TRANSACTIONS
(2024)
Review
Chemistry, Inorganic & Nuclear
Juan Carlos Perez-Sanchez, Raquel P. Herrera, M. Concepcion Gimeno
Summary: Gold(II) complexes have been less utilized in catalysis compared to their gold(I) and gold(III) counterparts. However, gold(II) complexes offer potential in homo-coupling and cross-coupling reactions, as they are more easily accessible through simplified oxidation and reduction processes. Gold(II) exhibits characteristics of both soft acid gold(I) and hard acid gold(III). This review explores the unique reactivity and potential applications of gold(II) species, highlighting their significance in catalytic transformations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Nighat Yousuf, Yanping Ma, Qaiser Mahmood, Wenjuan Zhang, Yizhou Wang, Hassan Saeed, Wen-Hua Sun
Summary: In this study, a series of structurally rigid cyclooctyl-fused iminopyridine iron complexes were synthesized and used with methylaluminoxane for isoprene polymerization. The extent of steric hindrance of the ligand framework was found to significantly affect catalytic performance, with less hindrance leading to better activity and stability.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chenghao Song, Huiwei Du, Menglei Xu, Jie Yang, Xinyu Zhang, Jungan Wang, Yuanfang Zhang, Chengjun Gu, Rui Li, Tao Hong, Jingji Zhang, Jiangying Wang, Yongchun Ye
Summary: This study improves the performance of perovskite solar cells by using a dual-hole transport layer strategy. This strategy enhances the charge transfer efficiency of the transport layer, reduces charge recombination, and improves the quality of the perovskite film layer. Ultimately, the stability of the device is enhanced.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mahender Singh, Aakash Yadav, Ranjit Singh, Chullikkattil P. Pradeep
Summary: A new aryl selenonium polyoxometalate hybrid was developed and compared with an aryl sulfonium polyoxometalate hybrid in terms of their photocatalytic properties. It was found that the aryl selenonium hybrid exhibited better catalytic performance, which could be attributed to the larger atomic radii of selenium stabilizing the photogenerated electron-hole pair more efficiently. Additionally, the generation of elemental selenium through cleavage of C-Se bonds during catalysis was observed.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Yuhan Xie, Boyu Dong, Xuemin Wang, Siyuan Wang, Jinxi Chen, Yongbing Lou
Summary: This study successfully fabricated visible-light-responsive three-dimensional core-shell CoSe2/ZnIn2S4 heterostructures and achieved attractive activity in photocatalytic hydrogen evolution. The presence of CoSe2 improved light absorption and accelerated charge transfer kinetics. The strong interaction between CoSe2 and ZnIn2S4 reduced charge recombination, further enhancing photocatalytic activity for hydrogen evolution.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Andre L. de O. Batista, Joao Marcos T. Palheta, Mauricio J. Piotrowski, Celso R. C. Rego, Diego Guedes-Sobrinho, Alexandre C. Dias
Summary: This study presents a simulation protocol that provides a solid foundation for exploring two-dimensional materials. Using the TiBr2 2H monolayer as an example, the study reveals its promising properties for optoelectronic and valleytronic applications, including its stability, spin-orbit coupling effects, and optical helicity selection rule.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Jiang Jiang, Zi-Wei Li, Zhi-Zhuan Zhang, Bin Tan, Zhao-Feng Wu, Xiao-Ying Huang
Summary: In this work, two metal organic frameworks (MOFs) containing {Cu2I2} clusters, Eu-CuI-INA and Sr-K-CuI-INA, were synthesized and characterized. Both materials have a three-dimensional structure with {Cu2I2} clusters coordinated by INA(-) ligands and Eu3+ or Sr2+ ions. The Sr-K-CuI-INA material exhibited sensitive fluorescence sensing behaviors towards cysteine and nitro-bearing molecules, showing potential applications in bio and explosive molecule sensing. This work provides a good reference for designing fluorescent MOF probes containing CuI molecules.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Zhiya Lin, Jiasheng Wu, Qianwen Ye, Yulong Chen, Hai Jia, Xiaohui Huang, Shaoming Ying
Summary: Na-ion batteries (NIBs) have attracted great interest as a potential technology for grid-scale energy storage due to the wide distribution, low cost, and environmental friendliness of sodium resources. However, their implementation is hindered by low rate capability and cycling stability caused by the large ionic size of Na+. In this study, a three-dimensional nanoarchitectured coral-like CoSe2@N-doped carbon (CL-CoSe2@NC) was synthesized, and it exhibited improved sodium storage properties with better electrode kinetics and a stable SEI film.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Ya-Qiong Zhang, Yu Zhang, Guoping Zeng, Rong-Zhen Liao, Man Li
Summary: The mechanism and selectivity of CO2 reduction under visible light were investigated using density functional calculations. The results showed that a tetradentate PNNP-type Iridium(III) complex exhibited high activity and selectivity in the reaction.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Sanyukta Ghosh, Shubhanth Jain, Soumya Ranjan Mishra, Gerda Rogl, Peter Rogl, Ernst Bauer, B. S. Murty, A. Govindaraj, Ramesh Chandra Mallik
Summary: In this study, reduced graphene oxide (rGO) was uniformly dispersed in the In0.5Co4Sb12 bulk material by ultrasonication, which effectively reduced the lattice thermal conductivity and improved the thermoelectric efficiency.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mika Takeuchi, Yutaka Amao
Summary: This study developed an effective visible-light driven system for fumaric acid production using renewable resources such as biomass derivatives, providing an alternative to the current petroleum-based synthesis methods.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Juan Jian, Meiting Wang, Zhuo Wang, Jingwen Meng, Yuqin Yang, Limin Chang
Summary: Developing low-cost and self-supported bifunctional catalysts is crucial for highly efficient water splitting devices. In this study, nano-NiFe2O4 was directly grown onto iron foil surface and Sn4+ was introduced into the NiFe2O4. The resulting Sn-NiFe2O4/IF showed low overpotentials and high current densities during oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), making it a promising catalyst for large-scale hydrogen production.
DALTON TRANSACTIONS
(2024)