In Silico SwissADME Analysis of Antibacterial NHC–Silver Acetates and Halides Complexes
Applied Sciences (Switzerland)This study investigates the antibacterial N-heterocyclic carbene (NHC)–silver complexes using the SwissADME platform, a web-based tool developed by the Swiss Institute of Bioinformatics (SIB).
Joanna Fedorowicz +2 more
exaly +4 more sources
In silico analysis, synthesis and biological evaluation of DHFR inhibitors [PDF]
Folia Medica, 2021 Introduction: Malaria is one of the varieties of fatal diseases caused by a protozoan parasite that is now considered to be the greatest global health challenge. A parasite of Plasmodium species triggers it transmitting the disease to humans by the bites
Chaitali Lad +6 more
doaj +4 more sources
Computational Identification of Blood–Brain Barrier-Permeant Microbiome Metabolites with Binding Affinity to Neurotransmitter Receptors in Neurodevelopmental Disorders [PDF]
MoleculesThe gut microbiome produces thousands of metabolites with potential to modulate central nervous system function through peripheral or direct neural mechanisms.
Ricardo E. Buendia-Corona +5 more
doaj +2 more sources
Searching for Novel COVID19 Treatments: Towards Covalent TMPRSS2 Inhibitors [PDF]
ChemMedChemWe designed, synthesised, and evaluated new guanidine derivatives as potential covalent inhibitors of TMPRSS2, a key protease for SARS‐CoV‐2 entry. Computational studies showed that some compounds have improved binding over nafamostat. However, experimentally none effectively blocked viral entry in cell assays, indicating further optimisation is needed.
Minneci M +6 more
europepmc +2 more sources
Scientia Pharmaceutica, 2023 Searching for new types of biological activities among preliminarily identified hit compounds is a key challenge in modern medicinal chemistry. In our study, a previously studied 3-[5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl]-propionic ...
Yulian Konechnyi +9 more
doaj +2 more sources
The Bioavailability Prediction and Screening Phytochemicals of Sansevieria Trifasciata Leaves Extract [PDF]
MATEC Web of Conferences, 2022 Leaves and rhizomes of Sansevieria trifasciata are used to treat some infectious diseases and have anti-diabetes potential. Active compounds and their bioavailability are not known yet.
Oomariyah Nur, Dijk Gertian van
doaj +2 more sources
In Silico Study to Predict the Potential of Beta Asarone, Methyl Piperonylketone, Coumaric Acid in Piper Crocatum as Anticancer Agents [PDF]
Journal of Experimental Life Science, 2021 Piper Crocatum Ruiz & Pav leaves often be used to treat various diseases, including cancer, empirically. This study aimed to analyze the anticancer activities of Piper Crocatum bioactive compounds via In Silico analysis.
Ahmed Hasan Abkar +2 more
doaj +2 more sources
PLoS ONE, 2020 Escherichia coli and Staphylococcus aureus are important agents of urinary tract infections that can often evolve to severe infections. The rise of antibiotic-resistant strains has driven the search for novel therapies to replace the use or act as ...
Valério Monteiro-Neto +16 more
doaj +2 more sources
ChemistryOpenRotenone is a naturally occurring compound shown to exhibit antiproliferative activity against various cancer cell lines, indicating its potential as a lead anticancer agent.
Monissa C Paderes
exaly +2 more sources
The interaction of target flavonoids with cytochromes P450 isoforms predicted using SwissADME.
, 2021 The interaction of target flavonoids with cytochromes P450 isoforms predicted using SwissADME.
Tegene Desalegn (11824694) +5 more
core +2 more sources