Repurposing Nitroimidazoles: A New Frontier in Combatting Bacterial Virulence and Quorum Sensing via In Silico, In Vitro, and In Vivo Insights
Sign Up to like & getrecommendations! Published in 2025 at "Drug Development Research"
DOI: 10.1002/ddr.70101
Abstract: The global antibiotic resistance crisis demands innovative strategies targeting bacterial virulence rather than survival. Quorum sensing (QS), a key regulator of virulence and biofilm formation, offers a promising avenue to mitigate resistance by disarming pathogens… read more here.
Keywords: vivo; silico vitro; virulence; repurposing nitroimidazoles ... See more keywords
Integrated in silico‐in vitro profiling of the systematic response of paclitaxel and its analogues to clinical tubulin variations in gynecologic cancers: Implications for the molecular mechanism of acquired tumor chemoresistance
Sign Up to like & getrecommendations! Published in 2024 at "Journal of the Chinese Chemical Society"
DOI: 10.1002/jccs.202400259
Abstract: Tubulin is the basic building block of microtubule and has been established as a druggable target of various cancers. However, a large number of somatic missense variations have been clinically observed to harbor in the… read more here.
Keywords: integrated silico; tubulin variations; tubulin; silico vitro ... See more keywords
Development and Evaluation of Peptidomimetic Compounds against SARS‐CoV‐2 Spike Protein: An in silico and in vitro Study
Sign Up to like & getrecommendations! Published in 2022 at "Molecular Informatics"
DOI: 10.1002/minf.202100231
Abstract: Background: Coronavirus disease 2019 (COVID‐19) as global pandemic disease has been adversely affecting public health and social life with considerable loss of human life worldwide. Therefore, there is an urgent need for developing novel therapeutics… read more here.
Keywords: evaluation; spike protein; silico vitro; study ... See more keywords
Assessment of lipid metabolism‐disrupting effects of non‐phthalate plasticizer diisobutyl adipate through in silico and in vitro approaches
Sign Up to like & getrecommendations! Published in 2023 at "Environmental Toxicology"
DOI: 10.1002/tox.23773
Abstract: Diisobutyl adipate (DIBA), as a novel non‐phthalate plasticizer, is widely used in various products. However, little effort has been made to investigate whether DIBA might have adverse effects on human health. In this study, we… read more here.
Keywords: metabolism; ppar; lipid metabolism; diba ... See more keywords
In Silico and In Vitro Considerations of Keratinocyte Nuclear Receptor Protein Structural Order for Improving Experimental Analysis.
Sign Up to like & getrecommendations! Published in 2019 at "Methods in molecular biology"
DOI: 10.1007/7651_2019_240
Abstract: Nuclear receptors (NR) regulate gene expression critical in keratinocyte replication and differentiation. In addition to a ligand-binding domain, NR like other transcription factor families have a DNA-binding domain that must attain a particular conformation for… read more here.
Keywords: order; keratinocyte nuclear; silico; considerations keratinocyte ... See more keywords
Diazabenzo[a]phenoxazone sulphonamides: synthesis, in-silico and in-vitro antimicrobial studies
Sign Up to like & getrecommendations! Published in 2018 at "Medicinal Chemistry Research"
DOI: 10.1007/s00044-018-2251-4
Abstract: The syntheses of new sulphonamide derivatives of 8,10-diazabenzo[a]phenoxazones are reported. The condensation of 4,5-diamino-6-hydroxy-2-mercaptopyrimidine and 2,3-dichloro-1,4-naphthoquinone in a basic medium gave the key functional intermediate, 11-amino-6-chloro-9-mercapto-8,10-diazabenzo[a]phenoxazin-5-one. The conversion of the later compound to its sulphonamide… read more here.
Keywords: phenoxazone sulphonamides; synthesis silico; compounds showed; sulphonamides synthesis ... See more keywords
Comparative potential of Simvastatin, Rosuvastatin and Fluvastatin against bacterial infection: an in silico and in vitro study
Sign Up to like & getrecommendations! Published in 2019 at "Oriental Pharmacy and Experimental Medicine"
DOI: 10.1007/s13596-019-00359-z
Abstract: In the current investigation, we have compared the potential of statin drugs (Simvastatin, Rosuvastatin and Fluvastatin) as potential anti-bacterial agent by conducting in silico, in vitro and ex vivo studies. In silico study was conducted… read more here.
Keywords: simvastatin; study; silico vitro; simvastatin rosuvastatin ... See more keywords
Identifying and repurposing antiviral drugs against severe acute respiratory syndrome coronavirus 2 with in silico and in vitro approaches
Sign Up to like & getrecommendations! Published in 2020 at "Biochemical and Biophysical Research Communications"
DOI: 10.1016/j.bbrc.2020.10.094
Abstract: Coronavirus infectious diseases 2019 (COVID-19), a global pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has been a serious public health threat worldwide. So far, there are no drugs and vaccines whose efficacy… read more here.
Keywords: respiratory syndrome; severe acute; syndrome coronavirus; coronavirus ... See more keywords
C-phycocyanin decreases proliferation and migration of melanoma cells: In silico and in vitro evidences.
Sign Up to like & getrecommendations! Published in 2022 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2022.105757
Abstract: The incidence and number of deaths caused by melanoma have been increasing in recent years, and the pigment C-phycocyanin (C-PC) appears as a possible alternative to treat this disease. So, the objective of this study… read more here.
Keywords: proliferation; migration; cell; melanoma ... See more keywords
In silico and in vitro inhibition of cytochrome P450 3A by synthetic stilbenoids.
Sign Up to like & getrecommendations! Published in 2017 at "Food chemistry"
DOI: 10.1016/j.foodchem.2017.06.040
Abstract: Inhibition of cytochrome P450 3A4 (CYP3A4), the major drug metabolizing enzyme, by dietary compounds has recently attracted increased attention. Evaluating the potency of the many known inhibitory compounds is a tedious and time consuming task,… read more here.
Keywords: cytochrome p450; inhibition cytochrome; silico vitro;
Synthesis, characterization, in silico, and in vitro biological screening of coordination compounds with 1,2,4-triazine based biocompatible ligands and selected 3d-metal ions
Sign Up to like & getrecommendations! Published in 2020 at "Heliyon"
DOI: 10.1016/j.heliyon.2020.e05144
Abstract: A bidentate Schiff base ligand, MHMMT, obtained from 1,2,4-triazine derivative and 4-hydroxy-3-methoxy benzaldehyde and its Fe(III), Co(II), Ni(II), Cu(II), and Zn(II) complexes were synthesised in ethanolic media and characterized by various analytical techniques like elemental… read more here.
Keywords: biological screening; silico vitro; vitro biological; characterization silico ... See more keywords