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Unlabelled: Molecular Property Diagnostic Suite (MPDS) was conceived and developed as an open-source disease-specific web portal based on Galaxy. MPDS was developed for COVID-19 as a one-stop solution for drug discovery research. Galaxy platforms enable the creation of customized workflows connecting various modules in the web server. The architecture of MPDS effectively employs Galaxy v22.04 features, which are ported on CentOS 7.8 and Python 3.7. MPDS provides significant updates and the addition of several new tools updated after six years. Tools developed by our group in Perl/Python and open-source tools are collated and integrated into MPDS using XML scripts. Our MPDS suite aims to facilitate transparent and open innovation. This approach significantly helps bring inclusiveness in the community while promoting free access and participation in software development.
Availability & Implementation: The MPDS portal can be accessed at https://mpds.neist.res.in:8085/.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10958779 | PMC |
http://dx.doi.org/10.46471/gigabyte.114 | DOI Listing |
Biom J
October 2025
Novella Clinical Full Service, IQVIA, Melbourne, Australia.
Phase I dose escalation trials in oncology generally aim to find the maximum tolerated dose. However, with the advent of molecular-targeted therapies and antibody drug conjugates, dose-limiting toxicities are less frequently observed, giving rise to the concept of optimal biological dose (OBD), which considers both efficacy and toxicity. The estimand framework presented in the addendum of the ICH E9(R1) guidelines strengthens the dialogue between different stakeholders by bringing in greater clarity in the clinical trial objectives and by providing alignment between the targeted estimand under consideration and the statistical analysis methods.
View Article and Find Full Text PDFAAPS PharmSciTech
September 2025
Analytical Chemistry Department, Faculty of Pharmacy, Cairo University, Cairo, 11562, Egypt.
The chimpanzee adenovirus-vectored vaccine developed by the University of Oxford (ChAdOx1 nCoV-19) showed good stability when stored in refrigerator. However, the vaccine manufacturer prefers its transportation in frozen condition. Data regarding the stability of the vaccine after exposure to repeated freezing processes have not been explored yet.
View Article and Find Full Text PDFCommun Chem
September 2025
Dresden Integrated Center for Applied Physics and Photonic Materials (IAPP), Technische Universität Dresden, Dresden, Germany.
Purely organic materials showing efficient and persistent emission via room temperature phosphorescence (RTP) allow the design of minimalistic yet powerful technological solutions for sensing, bioimaging, information storage, and safety applications using the photonic design principle of digital luminescence. Although several promising materials exist, a deep understanding of the underlying structure-property relationship and, thus, development of rational design strategies are widely missing. Some of the best purely organic emitters follow the donor-acceptor-donor design motif.
View Article and Find Full Text PDFNature
September 2025
Institute of Biomechanics and Medical Engineering, Applied Mechanics Laboratory, Department of Engineering Mechanics, Tsinghua University, Beijing, China.
The human stomach features distinct, regionalized functionalities along the anterior-posterior axis. Historically, studies on stomach patterning have used animal models to identify the underlying principles. Recently, human pluripotent stem (hPS)-cell-based gastric organoids for modelling domain-specific development of the fundic and antral epithelium are emerging.
View Article and Find Full Text PDFInorg Chem
September 2025
General Education Center, Qinghai Institute of Technology, Xining 810000, China.
Zirconium disilicide (ZrSi) ceramics have excellent physical and chemical properties and are employed in aerospace, energy, and chemical industries. Currently, the preparation and properties of ZrSi ceramics have been less studied. To comprehensively study the characteristics of ZrSi ceramics, in this study, dense bulk ZrSi ceramic samples are successfully prepared by the high-pressure-high-temperature (HPHT) sintering technique.
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