The GP2A European Conference is a two-day meeting focused on medicinal chemistry and the use of tools to explore all fields of drug discovery and drug design such as molecular modelling, bioorganic chemistry, MS studies, in vitro in vivo assays, and structure activity relationships. Abstracts of keynote lectures, plenary lectures, junior lectures, flash presentations, and posters presented during the meeting are collated in this report.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5374421 | PMC |
| http://dx.doi.org/10.3390/ph10010017 | DOI Listing |
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A simple phylogenetic approach to analyze hypermutated HIV proviruses reveals insights into their dynamics and persistence during antiretroviral therapy.
Virus Evol
November 2024
Faculty of Health Sciences, Simon Fraser University, 8888 University Drive, Burnaby, BC V5A 1S6, Canada.
Hypermutated proviruses, which arise in a single Human Immunodeficiency Virus (HIV) replication cycle when host antiviral APOBEC3 proteins introduce extensive guanine to adenine mutations throughout the viral genome, persist in all people living with HIV receiving antiretroviral therapy (ART). However, hypermutated sequences are routinely excluded from phylogenetic trees because their extensive mutations complicate phylogenetic inference, and as a result, we know relatively little about their within-host evolutionary origins and dynamics. Using >1400 longitudinal single-genome-amplified HIV sequences isolated from six women over a median of 18 years of follow-up-including plasma HIV RNA sequences collected over a median of 9 years between seroconversion and ART initiation, and >500 proviruses isolated over a median of 9 years on ART-we evaluated three approaches for masking hypermutation in nucleotide alignments.
View Article and Find Full Text PDFInfluence of heat-assisted vat photopolymerization on the physical and mechanical characteristics of dental 3D printing resins.
Sci Rep
January 2025
Department of Prosthodontics, Yonsei University College of Dentistry, Yonsei-ro 50-1, Seodaemun-gu, Seoul, 03722, Republic of Korea.
The effects of heat-assisted vat photopolymerization (HVPP) on the physical and mechanical properties of 3D-printed dental resins, including the morphometric stability of 3D-printed crowns, were investigated. A resin tank was designed to maintain the resin at 30, 40, and 50 ℃ during the 3D printing process. Test specimens were fabricated using a commercial dental resin, with untreated resin serving as the control group.
View Article and Find Full Text PDFPbsNRs: predict the potential binders and scaffolds for nuclear receptors.
Brief Bioinform
November 2024
Institute of Clinical Science, Zhongshan Hospital, Shanghai Medical College, Shanghai Institute of Infectious Disease and Biosecurity, Intelligent Medicine Institute, School of Life Sciences, Fudan University, No. 180 Fenglin Road, Shanghai 200032, China.
Nuclear receptors (NRs) are a class of essential proteins that regulate the expression of specific genes and are associated with multiple diseases. In silico methods for prescreening potential NR binders with predictive binding ability are highly desired for NR-related drug development but are rarely reported. Here, we present the PbsNRs (Predicting binders and scaffolds for Nuclear Receptors), a user-friendly web server designed to predict the potential NR binders and scaffolds through proteochemometric modeling.
View Article and Find Full Text PDFSurgical treatment can provide the opportunity for in-vitro fertilization (IVF) in a shorter period of time for patients with early-stage endometrial cancer.
Discov Oncol
January 2025
Reproductive Medicine Center, Department of Obstetrics and Gynecology, The First Affiliated Hospital of Anhui Medical University, No 218 Jixi Road, Hefei, 230022, China.
Background: Whether localized surgical treatment has advantages over traditional hormone therapy for young women who desire to preserve their fertility and have Stage 1a and Grade 1 endometrial cancer.
Case Presentation: We present a case study of a patient who was diagnosed with endometrial cancer (Grade 1a, Stage 1) and was experiencing infertility. The patient underwent conservative surgical treatment and was able to successfully conceive through in vitro fertilization (IVF).
A novel approach to expedite evidence to impact in pre-eclampsia: co-developed policy labs in Zambia and Sierra Leone.
BMC Glob Public Health
January 2025
Department of Women and Children's Health, King's College London, London, UK.
Pre-eclampsia is a leading cause of maternal and neonatal mortality; 30,000 pre-eclampsia-related maternal deaths occur annually, with 70% in Sub-Saharan Africa (SSA) and 16% in South Asia. We have shown that early, accurate detection of hypertension combined with planned early delivery in women with late preterm pre-eclampsia significantly reduces stillbirth and severe maternal hypertension. We describe co-development and delivery of policy labs, working with The Policy Institute (King's College London), and local stakeholders in Sierra Leone and Zambia, to expedite integration of new knowledge into pre-eclampsia care pathways, to improve care for women and babies with the worst outcomes.
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