Article
Medicine, Legal
Rachael E. Tennant, David J. Ponting, Andrew Thresher
Summary: Mutagenicity data is essential for the safety assessment of new drug compounds, and the Ames test is commonly used as a primary screen to evaluate mutagenic risk. However, it may not be sensitive enough to detect the mutagenic potential of N-nitrosamines, highly potent carcinogens. This study analyzes variations to the OECD 471-compliant Ames test and their impact on its predictive performance for carcinogenicity.
REGULATORY TOXICOLOGY AND PHARMACOLOGY
(2023)
Article
Medicine, Legal
Ting Li, Zhichao Liu, Shraddha Thakkar, Ruth Roberts, Weida Tong
Summary: The Ames assay is a necessary test for evaluating the potential risk of mutagenicity in consumer products, and deep learning methods provide a new approach for predicting the results of this test. By developing the DeepAmes model and comparing it with other machine learning methods using a large dataset, it was found that DeepAmes performs the best and maintains stability in predicting the outcome of the Ames assay, showing potential for use in regulatory applications.
REGULATORY TOXICOLOGY AND PHARMACOLOGY
(2023)
Article
Environmental Sciences
Fras Baasher, Tian-Nyu Wang, Muhammad Zulhelmi Bin Yusnan, Mohsen Alkahtani, Yasir M. Bashawri, Hamed Al Qarni, Pei-Ying Hong
Summary: This study characterized hospital wastewater samples and found that they are unlikely to significantly impact downstream biological wastewater treatment processes. Most samples tested showed no mutagenic or reactive oxygen species (ROS) producing capabilities, with only a few samples showing mutagenic effects at high concentrations.
FRONTIERS IN ENVIRONMENTAL SCIENCE
(2022)
Article
Chemistry, Medicinal
Igor Shamovsky, Lena Ripa, Frank Narjes, Britta Bonn, Stefan Schiesser, Ina Terstiege, Christian Tyrchan
Summary: This study investigates the mechanism of N-hydroxylation of aromatic and heteroaromatic amines by CYP1A2 using density functional theory calculations, finding that bioactivation follows an anionic pathway. The results demonstrate that mutagenicity of ArNH2 can be removed by disrupting geometric and electrostatic fit to CYP1A2.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Multidisciplinary Sciences
Katherine G. Schaefer, Arthur G. Roberts, Gavin M. King
Summary: Membrane proteins, such as P-glycoprotein (Pgp), play crucial roles in disease and drug disposition. Atomic force microscopy (AFM) can provide real-time information on the conformational dynamics of Pgp, but caution should be exercised when generalizing the AFM kymograph method.
SCIENTIFIC REPORTS
(2023)
Article
Biology
Nazish Khan, Ibrar Khan, Sadiq Azam, Farhan Ahmad, Hamid Ali Khan, Asma Shah, Midrar Ullah
Summary: The extracts of Pinus wallichiana, Daphne oleoides and Bidens chinensis did not exhibit mutagenic activity against the Salmonella strains tested, and showed moderate cytotoxicity in brine shrimps lethality bioassay.
SAUDI JOURNAL OF BIOLOGICAL SCIENCES
(2021)
Article
Endocrinology & Metabolism
Zhenyan Han, Yuan Zhang, Xuelan Li, Wei-Hsiu Chiu, Yuzhu Yin, Hongying Hou
Summary: This study compared placental volume (PV) and vascular indices between pregnant women with and without gestational diabetes mellitus (GDM) using three-dimensional (3D) Power Doppler ultrasound. Results showed significant differences in PV, vascularization index (VI), flow index (FI), and vascularization flow index (VFI) between the two groups. Combining maternal age, gravida, PV, and VFI may be a more accurate marker for detecting GDM.
FRONTIERS IN ENDOCRINOLOGY
(2021)
Article
Biology
Burak Alaylar, Bunyamin Aygun, Kadir Turhan, Mehmet Karadayi, Esra Cinan, Zuhal Turgut, Gokce Karadayi, Mohammed Ibrahim Abu Al-Sayyed, Medine Gulluce, Abdulhalik Karabulut
Summary: This study analyzed the radiation absorption capacity of five different types of synthesized azadispiro derivatives and determined their potential as substances for a drug to be developed against radiation. Experimental and theoretical results showed that these derivatives have good performance in absorbing both neutrons and gamma rays, and exhibit low genotoxicity at test doses.
INTERNATIONAL JOURNAL OF RADIATION BIOLOGY
(2023)
Article
Plant Sciences
Gabriel Davi Marena, Luiza Girotto, Luiz Leonardo Saldanha, Matheus Aparecido dos Santos Ramos, Rone Aparecido De Grandis, Patricia Bento da Silva, Anne Ligia Dokkedal, Marlus Chorilli, Tais Maria Bauab, Fernando Rogerio Pavan, Eliane Trovatti, Wilton Rogerio Lustri, Flavia Ap. Resende
Summary: The study found that the Myrcia bella extract exhibited antimicrobial properties and suggested caution in its medicinal use. The incorporation of the extract into nanostructured lipid systems inhibited mutagenicity and showed important antifungal effects against Candida sp strains. This highlights the potential of using nanotechnology with natural products for controlling infections caused by Candida sp.
Article
Multidisciplinary Sciences
Siti Nurazwa Zainol, Anis Fadhlina, Sri Vijaya Rentala, Manjula Yalaka, Leela Krishna Vatsavai, Renuka Pillai, Hassan Fahmi Ismail, Fadzilah Adibah Abdul Majid
Summary: This study analyzed the mutagenicity of Synacinn (TM) by evaluating point mutations in five tester strains of Salmonella typhimurium, conducted in two Phases with different experimental methods and formulations. The genetic integrity of tester strains was confirmed before use, and all data acceptability criteria were met, confirming the validity of the test.
Article
Oncology
Michal Chodyla, Aydin Demircioglu, Benedikt M. Schaarschmidt, Stefanie Bertram, Janna Morawitz, Sebastian Bauer, Lars Podleska, Christoph Rischpler, Michael Forsting, Ken Herrmann, Lale Umutlu, Johannes Grueneisen
Summary: The study found that the quantification of 18F-FDG PET uptake is useful for evaluating histopathological responses and aggressiveness of high-risk sarcomas, but not correlated with tumor size and ADC values. This suggests that measurements of metabolic activity in untreated soft-tissue sarcomas can provide valuable information for treatment planning and risk stratification in high-risk patients.
Article
Genetics & Heredity
Benjamin Christian Fischer, Yemurai Musengi, Jeannette Koenig, Benjamin Sachse, Stefanie Hessel-Pras, Bernd Schaefer, Carsten Kneuer, Kristin Herrmann
Summary: The presence of matrine and its N-oxide oxymatrine in liquorice products is sporadic. However, they are unlikely to have a gene mutation potential. The reliability and robustness of related studies are questionable and the application domain of (Q)SAR tools needs to be expanded.
Article
Environmental Sciences
Aisling Redmond, Fagen Zhang, WanYun Cheng, B. Bhaskar Gollapudi
Summary: 3-Chloroallyl alcohol (3-CAA) is a commonly used nematicide that can enter soil and groundwater. Studies have shown that 3-CAA is positive in a mouse lymphoma forward mutation assay but does not pose a mutagenic risk in a rat gene mutation assay and erythrocyte micronucleus assay. Therefore, 3-CAA is not considered to be a substance with mutagenic risk in whole animals.
ENVIRONMENTAL AND MOLECULAR MUTAGENESIS
(2023)
Article
Construction & Building Technology
Jaewan Joe
Summary: This study explores the potential for cost-saving in operating an underfloor air distribution (UFAD) system using model-based predictive control (MPC). By constructing a grey-box building model based on real building measurements, the study quantifies the energy-saving potential of MPC compared to feedback control through simulation. The results show that MPC can achieve energy savings of over 30% in the cooling season and around 20% in the intermediate season. Higher savings are observed when the outdoor air temperature and solar radiation are high. The size of the plenum does not significantly affect the energy savings, as the major savings are achieved through precooling using off-peak electricity and more efficient HVAC equipment.
ENERGY AND BUILDINGS
(2022)
Article
Environmental Sciences
Adeline Clerge, Jeremie Le Goff, Emilie Brotin, Edwige Abeillard, Isabelle Vaudorne, Christophe Denoyelle, Ludovic Le Hegarat, Raphael Delepee
Summary: This study conducted a prospective study on seven oxy-PAHs to investigate their mutagenicity, genotoxicity, and cytotoxicity potentials. The results showed that oxy-PAHs can cause DNA damage and have potential carcinogenic risks in exposed populations. In vitro assays, including the Ames test, were used to evaluate the genotoxic and mutagenic effects of oxy-PAHs.
ENVIRONMENTAL AND MOLECULAR MUTAGENESIS
(2023)
Article
Microbiology
J. A. Leeds, M. J. LaMarche, J. T. Brewer, S. M. Bushell, G. Deng, J. M. Dewhurst, J. Dzink-Fox, E. Gangl, A. Jain, L. Lee, M. Lilly, K. Manni, S. Mullin, G. Neckermann, C. Osborne, D. Palestrant, M. A. Patane, A. Raimondi, S. Ranjitkar, E. M. Rann, M. Sachdeva, J. Shao, S. Tiamfook, L. Whitehead, D. Yu
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
(2011)
Article
Biochemistry & Molecular Biology
Patrick McCarren, Gregory R. Bebernitz, Peter Gedeck, Susanne Glowienke, Melissa S. Grondine, Louise C. Kirman, Jacob Klickstein, Herbert F. Schuster, Lewis Whitehead
BIOORGANIC & MEDICINAL CHEMISTRY
(2011)
Article
Biochemistry & Molecular Biology
Lewis Whitehead, Markus R. Dobler, Branko Radetich, Yanyi Zhu, Peter W. Atadja, Tavina Claiborne, Jonathan E. Grob, Andrew McRiner, Margaret R. Pancost, Anup Patnaik, Wenlin Shao, Michael Shultz, Ritesh Tichkule, Ruben A. Tommasi, Brian Vash, Ping Wang, Travis Stams
BIOORGANIC & MEDICINAL CHEMISTRY
(2011)
Article
Chemistry, Medicinal
Michael Shultz, Jianmei Fan, Christine Chen, Young Shin Cho, Nicole Davis, Sheri Bickford, Kristen Buteau, Xueying Cao, Mats Holmqvist, Meier Hsu, Lei Jiang, Gang Liu, Qiang Lu, Chetan Patel, Joghee Raju Suresh, Mannangatti Selvaraj, Laszlo Urban, Ping Wang, Yan Yan-Neale, Lewis Whitehead, Haiyan Zhang, Liping Zhou, Peter Atadja
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2011)
Article
Chemistry, Medicinal
Ian Bruce, Mohammed Akhlaq, Graham C. Bloomfield, Emma Budd, Brian Cox, Bernard Cuenoud, Peter Finan, Peter Gedeck, Julia Hatto, Judy F. Hayler, Denise Head, Thomas Keller, Louise Kirman, Catherine Leblanc, Darren Le Grand, Clive McCarthy, Desmond O'Connor, Charles Owen, Mrinalini S. Oza, Gaynor Pilgrim, Nicola E. Press, Lilya Sviridenko, Lewis Whitehead
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2012)
Article
Biochemistry & Molecular Biology
Patrick McCarren, Michelle L. Hall, Lewis Whitehead
CHEMICAL BIOLOGY & DRUG DESIGN
(2012)
Article
Biochemistry & Molecular Biology
Anke Bill, Michelle Lynn Hall, Jason Borawski, Catherine Hodgson, Jeremy Jenkins, Philippe Piechon, Oana Popa, Christopher Rothwell, Pamela Tranter, Scott Tria, Trixie Wagner, Lewis Whitehead, L. Alex Gaither
JOURNAL OF BIOLOGICAL CHEMISTRY
(2014)
Article
Chemistry, Medicinal
Michelle Lynn Hall, William L. Jorgensen, Lewis Whitehead
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2013)
Article
Chemistry, Medicinal
Young Shin Cho, Lewis Whitehead, Jianke Li, Christine H-T. Chen, Lei Jiang, Markus Voegtle, Eric Francotte, Paul Richert, Trixie Wagner, Martin Traebert, Qiang Lu, Xueying Cao, Berengere Dumotier, Jasna Fejzo, Srinivasan Rajan, Ping Wang, Yan Yan-Neale, Wenlin Shao, Peter Atadja, Michael Shultz
JOURNAL OF MEDICINAL CHEMISTRY
(2010)
Article
Chemistry, Medicinal
Michael D. Shultz, Xueying Cao, Christine H. Chen, Young Shin Cho, Nicole R. Davis, Joe Eckman, Jianmei Fan, Alex Fekete, Brant Firestone, Julie Flynn, Jack Green, Joseph D. Growney, Mats Holmqvist, Meier Hsu, Daniel Jansson, Lei Jiang, Paul Kwon, Gang Liu, Franco Lombardo, Qiang Lu, Dyuti Majumdar, Christopher Meta, Lawrence Perez, Minying Pu, Tim Ramsey, Stacy Remiszewski, Suzanne Skolnik, Martin Traebert, Laszlo Urban, Vinita Uttamsingh, Ping Wang, Steven Whitebread, Lewis Whitehead, Yan Yan-Neale, Yung-Mae Yao, Liping Zhou, Peter Atadja
JOURNAL OF MEDICINAL CHEMISTRY
(2011)
Article
Chemistry, Medicinal
Matthew J. LaMarche, Jennifer A. Leeds, Kerri Amaral, Jason T. Brewer, Simon M. Bushell, Janetta M. Dewhurst, JoAnne Dzink-Fox, Eric Gangl, Julie Goldovitz, Akash Jain, Steve Mullin, Georg Neckermann, Colin Osborne, Deborah Palestrant, Michael A. Patane, Elin M. Rann, Meena Sachdeva, Jian Shao, Stacey Tiamfbok, Lewis Whitehead, Donghui Yu
JOURNAL OF MEDICINAL CHEMISTRY
(2011)
Article
Chemistry, Medicinal
Matthew J. LaMarche, Jennifer A. Leeds, Adam Amaral, Jason T. Brewer, Simon M. Bushell, Gejing Deng, Janetta M. Dewhurst, Jian Ding, JoAnne Dzink-Fox, Gabriel Gamber, Akash Jain, Kwangho Lee, Lac Lee, Troy Lister, David McKenney, Steve Mullin, Colin Osborne, Deborah Palestrant, Michael A. Patane, Elin M. Rann, Meena Sachdeva, Jian Shao, Stacey Tiamfook, Anna Trzasko, Lewis Whitehead, Aregahegn Yifru, Donghui Yu, Wanlin Yan, Qingming Zhu
JOURNAL OF MEDICINAL CHEMISTRY
(2012)
Article
Biochemical Research Methods
Paula M. Petrone, Janetta Dewhurst, Ruben Tommasi, Lewis Whitehead, Andrea K. Pomerantz
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2011)
Article
Multidisciplinary Sciences
Beat Nyfeler, Dominic Hoepfner, Deborah Palestrant, Christina A. Kirby, Lewis Whitehead, Robert Yu, Gejing Deng, Ruth E. Caughlan, Angela L. Woods, Adriana K. Jones, S. Whitney Barnes, John R. Walker, Swann Gaulis, Ervan Hauy, Saskia M. Brachmann, Philipp Krastel, Christian Studer, Ralph Riedl, David Estoppey, Thomas Aust, N. Rao Movva, Zuncai Wang, Michael Salcius, Gregory A. Michaud, Gregory McAllister, Leon O. Murphy, John A. Tallarico, Christopher J. Wilson, Charles R. Dean