Article
Parasitology
Mohamed Abdo Rizk, Hanadi B. Baghdadi, Shimaa Abd El-Salam El-Sayed, Rasha Eltaysh, Ikuo Igarashi
Summary: In this study, the inhibitory effects of Malaria Box compounds on the growth of Babesia microti were evaluated, leading to the discovery of potential antipiroplasm drugs. Bioinformatics analysis revealed structural similarities between selected compounds and currently used antibabesial drugs, indicating potential for combination therapies.
PARASITES & VECTORS
(2022)
Article
Pharmacology & Pharmacy
Geeta Kumari, Ravi Jain, Kumar Sah, Inderjeet Kalia, Manu Vashistha, Pooja Singh, Agam Prasad Singh, Kirandeep Samby, Jeremy Burrows, Shailja Singh
Summary: The development of resistance to current antimalarial therapies is a major concern. In this study, the antimalarial activity of Tubulin targeting compounds against P. falciparum was evaluated. The compounds showed multistage antimalarial effects and potential transmission-blocking activity. Target mining implicated PfTubulin as their molecular target. These compounds have potential for further development as next-generation antimalarial agents.
BIOCHEMICAL PHARMACOLOGY
(2022)
Article
Chemistry, Medicinal
Edwin G. Tse, Laksh Aithani, Mark Anderson, Jonathan Cardoso-Silva, Giovanni Cincilla, Gareth J. Conduit, Mykola Galushka, Davy Guan, Irene Hallyburton, Benedict W. J. Irwin, Kiaran Kirk, Adele M. Lehane, Julia C. R. Lindblom, Raymond Lui, Slade Matthews, James McCulloch, Alice Motion, Ho Leung Ng, Mario Oeren, Murray N. Robertson, Vito Spadavecchio, Vasileios A. Tatsis, Willem P. van Hoorn, Alexander D. Wade, Thomas M. Whitehead, Paul Willis, Matthew H. Todd
Summary: The research aims to develop compounds to kill the malaria parasite by targeting PfATP4. They organized a public competition, and the best models were used to predict and synthesize novel inhibitors with biological activity.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Review
Microbiology
Yara de Oliveira Brandao, Marcelo Beltrao Molento
Summary: Interest in host epigenetic changes during apicomplexan infections has grown due to new therapies targeting these alterations. This review performs a bibliometric analysis on publications related to such changes and summarizes the main studies and potential drug targets. The USA and China had the most relevant publications, with Toxoplasma gondii being the focus of most studies. Non-coding RNA and host defense pathways were frequently explored. However, more knowledge on host epigenetic pathways is needed before establishing definitive drug targets.
Article
Biochemistry & Molecular Biology
Atsushi Yoshimori, Joergen Bajorath
Summary: In this study, a chemical language model based on deep learning is introduced for analogue design. The model predicts preferred R-groups for new analogues based on ordered R-group sequences, taking into account the potency gradient and detectable SAR trends, providing a new concept for analogue design.
BIOORGANIC & MEDICINAL CHEMISTRY
(2022)
Article
Microbiology
James P. Adamson, Rachel M. Chalmers, Daniel Rh. Thomas, Kristin Elwin, Guy Robinson, Alicia Barrasa
Summary: In England and Wales, cryptosporidiosis cases peak in spring and autumn, associated with zoonotic/environmental exposures and overseas travel/water-based activities. COVID-19 restrictions reduced the incidence of cryptosporidiosis cases and potentially increased the incidence of C. parvum cases.
JOURNAL OF MEDICAL MICROBIOLOGY
(2023)
Article
Infectious Diseases
Stefan Biendl, Cecile Haberli, Jennifer Keiser
Summary: This study identified a new compound MMV1581558 with activity against schistosomula, showing potential for further development as an antischistosomal drug.
EXPERT REVIEW OF ANTI-INFECTIVE THERAPY
(2022)
Article
Multidisciplinary Sciences
Christopher G. Mull, Nathan Pacoureau, Sebastian A. Pardo, Luz Saldana Ruiz, Emiliano Garcia-Rodriguez, Brittany Finucci, Max Haack, Alastair Harry, Aaron B. Judah, Wade VanderWright, Jamie S. Yin, Holly K. Kindsvater, Nicholas K. Dulvy
Summary: Sharkipedia is a curated open-source database and research initiative developed to make all published biological traits and population trends of sharks and rays accessible. It has the potential to support fisheries management, conservation efforts, and test hypotheses of vertebrate macroecology and macroevolution.
Article
Zoology
Liyun Chang, Yingbin Chen, Qian Kang, Jianhua Qin, Zhiyong Liu
Summary: This study established a C. parvum infection model in mice and detected the expression levels of IFN-gamma, TNF-alpha, IL-2, IL-4, and IL-6 in the small intestine of infected mice. The results showed that the expression levels of these cytokines were up-regulated in the infected group, indicating their important role in controlling C. parvum infection. Therefore, the expression of these cytokines could serve as a reference for the diagnosis of C. parvum infection.
PAKISTAN JOURNAL OF ZOOLOGY
(2022)
Article
Mathematical & Computational Biology
David Dora, Timea Dora, Gabor Szegvari, Csongor Gerdan, Zoltan Lohinai
Summary: This article introduces a simple, transparent, user-friendly drug repurposing software that aims to facilitate collaborative work in the field of cancer research. The platform integrates data from various databases and provides rich background information and relevant literature to assist researchers in target selection and functional validation assays.
Article
Biochemistry & Molecular Biology
Stefan Schulz, Anton Moellerke
Summary: MACE is an open access database for coupled gas chromatography-mass spectrometry, providing curated spectra not found in widely available commercial libraries. The spectra are stored as text files and can be easily integrated into individual GC/MS systems. MACE relies on contributions from the community for its success.
JOURNAL OF CHEMICAL ECOLOGY
(2022)
Article
Chemistry, Physical
Peter M. May, Montserrat Filella
Summary: The JESS Thermodynamic Database (v8.9) is now available as a set of freely accessible PDF files, containing around 280,000 thermodynamic parameters from over 80,000 chemical reactions. It builds upon the Stability Constants Special Publications while offering additional quantitative indicators of parameter reliability based on reaction consistency.
JOURNAL OF SOLUTION CHEMISTRY
(2023)
Article
Engineering, Environmental
Jian Liu, Qingyang Zhang, Mingyang Chen, Zhenguo Gao, Sohrab Rohani, Junbo Gong
Summary: This study establishes an open-access chemical microparticle image database and utilizes a deep learning-based neural network model for particle segmentation and classification, demonstrating its high accuracy and efficiency in chemical multi-phase flow analysis. The study also proposes methods for defining and quantifying multidimensional particle descriptors and agglomeration distribution, and applies them to the quantitative analysis of crystallization and emulsification processes.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Marine
Xuechao Dong, Mingwei Guo, Shuilin Wang
Summary: This paper proposes a key index of open caisson sinking and establishes a time series prediction model of SEI based on convolutional neural network. It introduces an active control method with a data-driven strategy. The model is validated in a real project and shows reliability and practicability.
Article
Chemistry, Multidisciplinary
Christopher J. Swain, Jeremy G. Frey, Jonathan M. Goodman
Summary: In November 2020, the Royal Society of Chemistry's Chemical Information and Computer Applications interest group held a five-day conference on Open Chemical Science, focusing on open data, open access publishing, and various open-source tools for chemistry. This online event was highly popular and attracted attendees from 45 different countries. The workshops, in particular, were well-received and led to a year-long series of further workshops.
PURE AND APPLIED CHEMISTRY
(2022)
Article
Microbiology
Ian T. Foe, Matthew A. Child, Jaimeen D. Majmudar, Shruthi Krishnamurthy, Wouter A. van der Linden, Gary E. Ward, Brent R. Martin, Matthew Bogyo
CELL HOST & MICROBE
(2015)
Article
Microbiology
Shruthi Krishnamurthy, Bin Deng, Roxana del Rio, Kerry R. Buchholz, Moritz Treeck, Sinisa Urban, John Boothroyd, Ying-Wai Lam, Gary E. Ward
Article
Biochemistry & Molecular Biology
Cameron J. Powell, Meredith L. Jenkins, Michelle L. Parker, Raghavendran Ramaswamy, Anne Kelsen, David M. Warshaw, Gary E. Ward, John E. Burke, Martin J. Boulanger
JOURNAL OF BIOLOGICAL CHEMISTRY
(2017)
Article
Biochemistry & Molecular Biology
Carol S. Bookwalter, Anne Kelsen, Jacqueline M. Leung, Gary E. Ward, Kathleen M. Trybus
JOURNAL OF BIOLOGICAL CHEMISTRY
(2014)
Article
Cell Biology
Qing Tang, Nicole Andenmatten, Miryam A. Hortua Triana, Bin Deng, Markus Meissner, Silvia N. J. Moreno, Bryan A. Ballif, Gary E. Ward
MOLECULAR BIOLOGY OF THE CELL
(2014)
Article
Multidisciplinary Sciences
Jacqueline M. Leung, Mark A. Rould, Christoph Konradt, Christopher A. Hunter, Gary E. Ward
Article
Multidisciplinary Sciences
Jacqueline M. Leung, Fanny Tran, Ravindra B. Pathak, Severine Poupart, Aoife T. Heaslip, Bryan A. Ballif, Nicholas J. Westwood, Gary E. Ward
Article
Multidisciplinary Sciences
Anahi V. Odell, Fanny Tran, Jenna E. Foderaro, Severine Poupart, Ravi Pathak, Nicholas J. Westwood, Gary E. Ward
Article
Biology
Alex Hunt, Matthew Robert Geoffrey Russell, Jeanette Wagener, Robyn Kent, Romain Carmeille, Christopher J. Peddie, Lucy Collinson, Aoife Heaslip, Gary E. Ward, Moritz Treeck
Review
Microbiology
Carla E. Lanze, Rafael M. Gandra, Jenna E. Foderaro, Kara A. Swenson, Lois M. Douglas, James B. Konopka
MICROBIOLOGY AND MOLECULAR BIOLOGY REVIEWS
(2020)
Article
Microbiology
Pramod K. Rompikuntal, Robyn S. Kent, Ian T. Foe, Bin Deng, Matthew Bogyo, Gary E. Ward
Summary: The key binding element between TgMLC1 and TgGAP45 in the force transduction machinery of T. gondii was found to be the palmitoylation of C8 and C11 residues on TgMLC1, contradicting the current model. Surprisingly, mutations disrupting this binding had little impact on parasite motility, challenging the widely held linear motor model and emphasizing the need for further research on how apicomplexan parasites generate necessary forces for movement.
Article
Biology
Rachel Stadler, Shane R. Nelson, David M. Warshaw, Gary E. Ward
Summary: Toxoplasma gondii is a protozoan parasite that infects a significant portion of the world's population, using a unique form of substrate-dependent motility to invade host cells and disseminate throughout the body. Recent research shows that the predominant forces exerted by the moving parasite are periodic and directed inward, leading to a visible constriction in the parasite's plasma membrane. This suggests a closer connection between parasite motility and host cell invasion than previously recognized.
Review
Microbiology
Jenna E. Foderaro, Lois M. Douglas, James B. Konopka
Article
Biology
Jamie A. Whitelaw, Fernanda Latorre-Barragan, Simon Gras, Gurman S. Pall, Jacqueline M. Leung, Aoife Heaslip, Saskia Egarter, Nicole Andenmatten, Shane R. Nelson, David M. Warshaw, Gary E. Ward, Markus Meissner