A practical guide to machine-learning scoring for structure-based virtual screening
Abstract Structure-based virtual screening (SBVS) via docking has been used to discover
active molecules for a range of therapeutic targets. Chemical and protein data sets that …
active molecules for a range of therapeutic targets. Chemical and protein data sets that …
[HTML][HTML] TRIB3 supports breast cancer stemness by suppressing FOXO1 degradation and enhancing SOX2 transcription
The existence of breast cancer stem cells (BCSCs) is a major reason underlying cancer
metastasis and recurrence after chemotherapy and radiotherapy. Targeting BCSCs may …
metastasis and recurrence after chemotherapy and radiotherapy. Targeting BCSCs may …
[HTML][HTML] Vetinformatics from functional genomics to drug discovery: insights into decoding complex molecular mechanisms of livestock systems in veterinary science
RK Pathak, JM Kim - Frontiers in Veterinary Science, 2022 - frontiersin.org
Having played important roles in human growth and development, livestock animals are
regarded as integral parts of society. However, industrialization has depleted natural …
regarded as integral parts of society. However, industrialization has depleted natural …
The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic …
DA Abdelrheem, SA Ahmed… - … Science and Health …, 2020 - Taylor & Francis
This work aimed at evaluating the inhibitory effect of ten natural bioactive compounds (1–10)
as potential inhibitors of SARS-CoV-2-3CL main protease (PDB ID: 6LU7) and SARS-CoV …
as potential inhibitors of SARS-CoV-2-3CL main protease (PDB ID: 6LU7) and SARS-CoV …
[HTML][HTML] Destabilizing the structural integrity of COVID-19 by caulerpin and its derivatives along with some antiviral drugs: An in silico approaches for a combination …
SA Ahmed, DA Abdelrheem, HRA El-Mageed… - Structural Chemistry, 2020 - Springer
Abstract Presently, the SARS-CoV-2 (COVID-19) pandemic has been spreading throughout
the world. Some drugs such as lopinavir, simeprevir, hydroxychloroquine, chloroquine, and …
the world. Some drugs such as lopinavir, simeprevir, hydroxychloroquine, chloroquine, and …
[HTML][HTML] Hesperetin activated SIRT1 neutralizes cadmium effects on the early bovine embryo development
Cadmium (Cd) is a major environmental contaminant that has been linked to oocyte quality
reduction and early embryo mortality in various in vivo studies. In this study, we investigated …
reduction and early embryo mortality in various in vivo studies. In this study, we investigated …
[HTML][HTML] Histidine Metabolism and IGPD Play a Key Role in Cefquinome Inhibiting Biofilm Formation of Staphylococcus xylosus
Y Zhou, C Xu, Y Yang, X Xing, X Liu, Q Qu… - Frontiers in …, 2018 - frontiersin.org
Staphylococcus xylosus (S. xylosus) is an AT-rich and coagulase-negative Staphylococcus
(CNS). It is normally regarded as non-pathogenic, however, recent studies have …
(CNS). It is normally regarded as non-pathogenic, however, recent studies have …
[HTML][HTML] Cycloastragenol activation of telomerase improves β-Klotho protein level and attenuates age-related malfunctioning in ovarian tissues
Age-related deterioration in the reproductive capacity of women is directly related to the poor
developmental potential of ovarian follicles. Although telomerase plays a key role in female …
developmental potential of ovarian follicles. Although telomerase plays a key role in female …
[HTML][HTML] Rutin, A Natural Inhibitor of IGPD Protein, Partially Inhibits Biofilm Formation in Staphylococcus xylosus ATCC700404 in vitro and in vivo
Staphylococcus xylosus (S. xylosus) has become an emerging opportunistic pathogen due
to its strong biofilm formation ability. Simultaneously, the biofilm of bacteria plays an …
to its strong biofilm formation ability. Simultaneously, the biofilm of bacteria plays an …
Effects of acetylation on dissociation and phosphorylation of actomyosin in postmortem ovine muscle during incubation at 4° C in vitro
Y Zhang, X Li, D Zhang, Y Bai, X Wang - Food Chemistry, 2021 - Elsevier
This study aimed to assess the effects of acetylation levels on actomyosin disassociation
and phosphorylation of lamb during incubation at 4° C. Samples of whole proteins from lamb …
and phosphorylation of lamb during incubation at 4° C. Samples of whole proteins from lamb …