Article
Multidisciplinary Sciences
Ovgu Isbilen, Ender Volkan
Summary: Ethanolic extracts of Allium willeanum Holmboe showed significant cytotoxic and apoptotic activities on both MCF-7 and MDA-MB-231 breast cancer cell lines in vitro, with a more pronounced effect on highly metastatic breast cancer cells.
Article
Biochemistry & Molecular Biology
Keng-Shiang Huang, Yi-Ting Wang, Omkar Byadgi, Ting-Yu Huang, Mi-Hsueh Tai, Jei-Fu Shaw, Chih-Hui Yang
Summary: The study found that chlorophyllides composites can modulate the expression of various genes in breast cancer cells, including those associated with the endocrine and nervous systems. These findings provide valuable information for further research and development of novel cancer therapies.
Article
Biochemistry & Molecular Biology
Aykut Ozgur, Altan Kara, Nazan Goksen Tosun, Saban Tekin, Isa Gokce
Summary: Heat shock protein 90 (Hsp90) is a key chaperone overexpressed in cancer cells, making it a potential target for cancer therapy. Debio-0932, a second-generation inhibitor, showed promising anticancer activity by binding strongly to Hsp90 and inducing apoptosis in breast cancer cells.
MOLECULAR BIOLOGY REPORTS
(2021)
Article
Biochemistry & Molecular Biology
Bashir Mosayyebi, Leila Mohammadi, Ashkan Kalantary-Charvadeh, Mohammad Rahmati
Summary: The study demonstrated that amygdalin has cytotoxic effects on breast cancer cell lines, while being non-toxic to human skin fibroblast cell line. Amygdalin treatment resulted in decreased adhesion of cancer cells to fibronectin and collagen I, as well as reduced cell migration, particularly in MDA-MB-231 cells. Integrin alpha and beta levels were differentially regulated by amygdalin in both cancer cell lines, suggesting a role in cancer cell adhesion and migration.
CURRENT MOLECULAR PHARMACOLOGY
(2021)
Article
Chemistry, Physical
Mar'iyah Najihah Abdullah, Shafida Abd Hamid, Salizawati Muhamad Salhimi, Nurul Awani Syazzira Jalil, Mohammad Al -Amin, Nor Saliyana Jumali
Summary: Breast cancer, the most common cancer among women, is facing a challenge in the development of new anticancer drugs due to increasing drug resistance. Benzimidazole derivatives with various functional groups have shown excellent anticancer activity. In this study, two series of N-sec and tert-butyl-2-phenylbenzimidazoles were designed and synthesized, and their inhibitory effects on MDA-MB-231 and MCF-7 cell lines were evaluated. Chloro-substituted benzimidazoles exhibited better inhibitory effects compared to nitro-substituted ones, and some derivatives showed selectivity towards specific cell lines.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Nutrition & Dietetics
Monika Kalinowska, Ewelina Golebiewska, Grzegorz Swiderski, Sylwia Meczynska-Wielgosz, Hanna Lewandowska, Anna Pietryczuk, Adam Cudowski, Aleksander Astel, Renata Swislocka, Mariola Samsonowicz, Anna Barbara Zlowodzka, Waldemar Priebe, Wlodzimierz Lewandowski
Summary: The study investigated seven derivatives of plant-derived hydroxybenzoic acid for their structural and biological properties, including antioxidant, lipophilicity, antimicrobial activity, and cytotoxicity. It discussed the relationship between the molecular structure and biological activity of hydroxybenzoic acids, providing valuable information for their potential application in dietary supplements, functional foods, or drugs.
Article
Biotechnology & Applied Microbiology
Neelam Mishra, Kavita Rana, Siva Deepthi Seelam, Rakesh Kumar, Vijyendra Pandey, Bharathi P. Salimath, Dayanand Agsar
Summary: Pseudomonas aeruginosa DNM50 was identified as a biosurfactant-producing bacterium with 12 different congeners of rhamnolipid identified through structural characterization. The rhamnolipid showed radical scavenging activity with an IC50 value of 101.8 μg/ml and exhibited cytotoxic activity against MDA-MB-231 breast cancer cell line with a low IC50 of 0.05 μg/ml at 72 h of treatment. This suggests that DNM50RL may have potential in breast cancer treatment by targeting inhibition of p38MAPK.
FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Scott D. Hargrave, Anna M. Joubert, Barry V. L. Potter, Wolfgang Dohle, Sumari Marais, Anne E. Mercier
Summary: The non-steroidal THIQ-based microtubule disruptor STX3451, with enhanced pharmacokinetic and pharmacodynamic profiles, was explored for the first time in radiation biology. Pre-treatment with STX3451 increased cytotoxicity in breast cancer cells when combined with radiation, inducing more double-strand DNA breaks and potentially delaying DNA repair mechanisms through the repression of the DNA damage response element ATM. These findings may lead to the reduction of radiation and drug doses for optimal clinical efficacy.
Article
Biochemistry & Molecular Biology
Matharage Gayani Dilshara, Ilandarage Menu Neelaka Molagoda, Rajapaksha Gedara Prasad Tharanga Jayasooriya, Yung Hyun Choi, Cheol Park, Gi-Young Kim
Summary: I3M induces paraptosis in cancer cells by triggering ER stress and proteasomal dysfunction, leading to Ca2+ release and mitochondria-mediated cell death.
ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
(2021)
Article
Food Science & Technology
Paula Moyano, Jose Manuel Garcia, Jimena Garcia, Adela Pelayo, Pilar Munoz-Calero, Maria Teresa Frejo, Maria Jose Anadon, Maria Victoria Naval, Andrea Flores, Vega Alejandra Mirat, Javier Del Pino
Summary: The study found that chlorpyrifos may promote breast cancer cell proliferation through various mechanisms, including increasing reactive oxygen species, acetylcholine accumulation, and alterations in the Wnt/beta-catenin pathway.
FOOD AND CHEMICAL TOXICOLOGY
(2021)
Article
Environmental Sciences
Chun-Wen Cheng, Gwo-Tarng Sheu, Jing-Shiuan Chou, Pei-Han Wang, Yu-Chun Cheng, Chane-Yu Lai
Summary: The study demonstrated that soluble PM2.5 from building demolition sites can promote the survival and metastasis of triple-negative breast cancer cells, with increased cell viability, migration capacity, and activation of malignant signaling pathways in cancer cells exposed to the particulates.
Article
Biophysics
Rahman Hallaj, Zhaleh Ghafary, Osama kamal Mohammed, Raheleh Shakeri
Summary: The study developed an electrochemical biosensor for detecting the endogenous protein of breast cancer cells using RNA-cleaving DNAzymes. Thionine-modified gold nanoparticles and modified magnetic nanoparticles were used to prepare a probe, which was then pulled to the electrode surface with the help of a magnetic field. The presence of gold nanoparticle-thionine hybrid as an electroactive label ensured strong detection signals. The biosensor showed a linear range of (1.0E-06 to 1.0E+01) pg/ml for the protein marker and a detection limit of (1.0129E-07 pg/ml) using differential pulse voltammetry and electrochemical impedance spectroscopy (EIS).
BIOSENSORS & BIOELECTRONICS
(2023)
Article
Biochemistry & Molecular Biology
Zeenat Ismail, Jean Dam, Clement Penny, Charles B. de Koning, Leonie Harmse
Summary: Copper-imidazo[1,2-a]pyridines show potential as drug candidates against leukemia cells by activating the apoptotic pathway. The response of apoptotic regulatory proteins to these compounds is inconsistent between different cell lines, indicating the effect is modulated by molecular signatures of each cell line.
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR CELL RESEARCH
(2022)
Article
Multidisciplinary Sciences
Xingjian Zhang, Trevor Chan, Michael Mak
Summary: This study investigated the phenotypes of highly aggressive cancer cells in confined microenvironments, revealing two distinct migratory phenotypes in fast migrating single cells and an increase in protrusions at the leading edge of cells under geometric confinement. The findings elucidate the impact of geometric constraints on cell behavior and morphodynamics associated with different cell phenotypes.
SCIENTIFIC REPORTS
(2021)
Article
Biochemistry & Molecular Biology
Kamylla Fernanda Souza de Souza, Danilo Tofoli, Indiara Correia Pereira, Kelly Juliana Filippin, Ana Tereza Gomes Guerrero, Edgar Julian Paredes-Gamero, Maria de Fatima Cepa Matos, Walmir Silva Garcez, Fernanda Rodrigues Garcez, Renata Trentin Perdomo
Summary: The study isolated three compounds from the leaves of Aniba heringeri, with compound 3 showing strong cytotoxicity against breast cancer cells and a high selective index. This compound exhibited promising apoptosis induction effects on triple-negative breast cancer cells, demonstrating potential as a prototype for targeting TNBC cells that are usually resistant to conventional therapies.
BIOORGANIC & MEDICINAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Zeenat Ismail, Jean Dam, Clement Penny, Charles B. de Koning, Leonie Harmse
Summary: Copper-imidazo[1,2-a]pyridines show potential as drug candidates against leukemia cells by activating the apoptotic pathway. The response of apoptotic regulatory proteins to these compounds is inconsistent between different cell lines, indicating the effect is modulated by molecular signatures of each cell line.
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR CELL RESEARCH
(2022)
Article
Biochemistry & Molecular Biology
Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques, Koichi Yamashita
Summary: Layered two-dimensional transition metal dichalcogenides and their heterostructures have diverse applications in materials nanoscience and technologies. The study uses density functional theory to examine the interactions and characteristics of the interfacial/interlayer regions in WCh(2) crystals. The findings provide insight into the physical chemistry of the chemical bonding environments in layered 2H-WCh(2) nanoscale systems.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Review
Biochemistry & Molecular Biology
Arpita Varadwaj, Pradeep R. Varadwaj, Helder M. Marques, Koichi Yamashita
Summary: A stibium bond, a type of non-covalent interaction formed by antimony, is a key stabilizing factor in crystal systems. This overview examines various crystal structures to illustrate the presence and significance of stibium bonds in molecular stability.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Arpita Varadwaj, Pradeep R. Varadwaj, Helder M. Marques, Koichi Yamashita
Summary: In chemical systems, the arsenic bond refers to the attractive interaction between a covalently or coordinately bound arsenic atom and a nucleophile. This bond plays a significant role in the stability of crystalline phases and is accompanied by other interactions. This overview uses crystal structures to demonstrate the diversity of arsenic-centered sigma- and pi-hole interactions and provides insight into their typical properties.
Review
Chemistry, Multidisciplinary
Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques, Koichi Yamashita
Summary: Since late last century, thousands of crystal structures containing bismuth have been stored in various crystal structure databases, many of which feature a covalently or coordinately bonded bismuth atom with a positive region on its electrostatic surface. This positive region attracts a variety of Lewis bases and leads to the formation of bismuth-centered pnictogen bonds. The characteristics of these bonds, including geometric features and interaction directionality, have been evaluated using different techniques, and the results of molecular electrostatic surface potential, quantum theory of atoms in molecules, and charge density have been discussed for selected systems.
Review
Biochemistry & Molecular Biology
Helder M. Marques
Summary: This review discusses the inorganic chemistry of cobalt corrinoids, derivatives of vitamin B12, focusing on equilibrium constants and kinetics of their axial ligand substitution reactions. The importance of the corrin ligand in controlling and modifying the properties of the metal ion is emphasized. Other aspects such as structure, corrinoid complexes with metals other than cobalt, redox chemistry, chemical redox reactions, and photochemistry are also discussed, along with the catalytic role of these compounds in non-biological reactions and highlights in organometallic chemistry. The contributions of computational methods, particularly DFT calculations, to our understanding of the inorganic chemistry of these compounds are highlighted. An overview of the biological chemistry of B12-dependent enzymes is provided for convenience.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Roger A. Sheldon, Moira L. Bode, Nompumelelo Mathebula
Summary: The discovery of enzymes functioning efficiently in organic solvents has changed their industrial applications, but raised concerns about the environmentally undesirable solvents used. Efforts are being made to develop greener alternatives, such as bio-based solvents derived from waste biomass. Biocatalytic oxidations have shown potential in bio-based ether solvents and can be further explored in bio-based ester solvents. Ionic liquids, deep eutectic solvents, and designer amphiphiles are also promising solvents for biocatalytic oxidations, including the oxidative depolymerization of lignin catalyzed by laccases.
CURRENT OPINION IN GREEN AND SUSTAINABLE CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques, Koichi Yamashita
Summary: This article discusses the role of ion pairs [Cs+ center dot TtX(3)(-)] in 3D inorganic cesium tetrel halide perovskites, which are widely used in optoelectronic applications such as solar cells. Computational methods are used to analyze the geometric connectivity between the inorganic monoanions, [TtX(3)(-)], and the formation of the TtX(6)(4-) octahedra and 3D inorganic perovskite architecture. The article also examines the intermolecular geometries, binding energies, and charge density-based topological properties of various ion pairs and oligomers.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Matthew Clarke Scheepers, Andreas Lemmerer
Summary: This study synthesized five cocrystals containing izbt and izact, and characterized them using single-crystal X-ray diffraction, powder X-ray diffraction, and differential scanning calorimetry.
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
(2023)
Article
Crystallography
Itumeleng B. Setshedi, Andreas Lemmerer, Mark G. Smith
Summary: In this study, the unexpected formation of a 1:1 co-crystal compound was observed during the modification of isoniazid for improved efficacy against Mycobacteria species. The co-crystal formation occurred due to the spontaneous generation of benzoic acid during the autoxidation of benzaldehyde.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2023)
Article
Biochemistry & Molecular Biology
Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques, Koichi Yamashita
Summary: The structural stability of organic-inorganic hybrid perovskite semiconductors is determined by non-covalent interactions between the organic cations and inorganic anions. This study investigates the nature of these interactions using ion pair models and density functional theory simulations. The results reveal the importance of hydrogen and pnictogen bonds in stabilizing the ion pairs, as well as the role of tetrel bonding interactions in holding the inorganic anionic moieties together.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Pradeep R. Varadwaj, Arpita Varadwaj, Helder Marques, Koichi Yamashita
Summary: The signs of the extrema of the molecular electrostatic surface potential (MESP) are effective indicators of the surface reactivity behavior of molecules. In this paper, the MESP model is used to explore the highly-valued delocalized systems of fullerenes, carbon nanotubes, and allotropes of graphene, revealing electron-rich and electron-deficient p-regions. These regions can exhibit efficient p-hole acceptor and tetrel bond donor behavior, forming molecular complexes or supramolecular assemblies in crystalline phases. The concept is illustrated through the investigation of dimers formed by C-20, C-60, and C-70 fullerene systems with diatomic molecules.
Article
Chemistry, Multidisciplinary
Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques, Koichi Yamashita
Summary: This paper proposes a definition of tetrel bond and presents the characteristic features of tetrel bonds observed in crystalline phase or from first principles calculations. These features can be used to identify and classify the unique interactions formed by group 14 elements with an electrophilic site in a molecular entity.
Article
Chemistry, Inorganic & Nuclear
Arpita Varadwaj, Pradeep R. Varadwaj, Helder M. Marques, Koichi Yamashita
Summary: This article proposes a definition for the term pnictogen bond and lists its donors, acceptors, and characteristic features, aiming to identify a specific subset of inter- and intramolecular interactions formed by elements of Group 15.
Article
Chemistry, Inorganic & Nuclear
Pradeep R. Varadwaj, Helder M. Marques, Arpita Varadwaj, Koichi Yamashita
Summary: Computational methods were used to analyze the intermolecular interactions in dimers of molybdenum dichalcogenides, revealing certain hybrid functionals capable of replicating these interactions. The study discussed the geometries and energies of the dimers, as well as the origins of intermolecular bonding interactions.
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)
