Antitumor activity, X-Ray crystallography, in silico study of some-sulfamido-phosphonates. Identification of pharmacophore sites
The key compounds, sulfamidophosphonate derivatives 3a–3h, were evaluated in vitro for
their antitumor activity against three cancer cell lines Jurkat (acute T cell Leukaemia, ATCC …
their antitumor activity against three cancer cell lines Jurkat (acute T cell Leukaemia, ATCC …
Synthesis, antimicrobial, molecular docking and molecular dynamics studies of lauroyl thymidine analogs against SARS-CoV-2: POM study and identification of the …
Nucleoside precursors and nucleoside analogs occupy an important place in the treatment
of viral respiratory pathologies, especially during the current COVID-19 pandemic. From this …
of viral respiratory pathologies, especially during the current COVID-19 pandemic. From this …
Synthesis, biological activity and POM/DFT/docking analyses of annulated pyrano [2, 3-d] pyrimidine derivatives: Identification of antibacterial and antitumor …
Abstract New annulated pyrano [2, 3-d] pyrimidine derivatives were synthesized with
hydroxyl, methoxy, bromine, nitrile and nitro substituents on its skeleton. The correlated …
hydroxyl, methoxy, bromine, nitrile and nitro substituents on its skeleton. The correlated …
In vitro potential antiviral SARS-CoV-19-activity of natural product thymohydroquinone and dithymoquinone from Nigella sativa
Inflammation, oxidation, and compromised immunity all increase the dangers of COVID-19,
whereas many pharmaceutical protocols may lead to increased immunity such as ingesting …
whereas many pharmaceutical protocols may lead to increased immunity such as ingesting …
Synthesis, structural confirmation, antibacterial properties and bio-informatics computational analyses of new pyrrole based on 8-hydroxyquinoline
Y Lakhrissi, M Rbaa, B Tuzun, A Hichar… - Journal of Molecular …, 2022 - Elsevier
This study aims to synthesize new pyrrolic compounds derivatives of 8-hydroxyquinoline,
explore the structure-activity relationship and the effect of the substituents carried by the …
explore the structure-activity relationship and the effect of the substituents carried by the …
Design, synthesis, molecular modeling, anticancer studies, and density functional theory calculations of 4-(1, 2, 4-triazol-3-ylsulfanylmethyl)-1, 2, 3-triazole derivatives
A Al Sheikh Ali, D Khan, A Naqvi, FF Al-Blewi… - ACS …, 2020 - ACS Publications
New conjugates of substituted 1, 2, 3-triazoles linked to 1, 2, 4-triazoles were synthesized
starting from the appropriate S-propargylated 1, 2, 4-triazoles 7 and 8. Ligation of 1, 2, 4 …
starting from the appropriate S-propargylated 1, 2, 4-triazoles 7 and 8. Ligation of 1, 2, 4 …
In Silico Pharmacokinetics, Molecular Docking and Molecular Dynamics Simulation Studies of Nucleoside Analogs for Drug Discovery-A Mini Review
Nucleoside analogs have been widely used as antiviral, antitumor, and antiparasitic agents
due to their ability to inhibit nucleic acid synthesis. Adenosine, cytidine, guanosine …
due to their ability to inhibit nucleic acid synthesis. Adenosine, cytidine, guanosine …
Synthesis of a novel phenytoin derivative: crystal structure, Hirshfeld surface analysis and DFT calculations
Hydantoin compounds are important heterocyclic scaffolds and a class of well-known
bioactive molecules with a broad spectrum of pharmacological properties. Consequently …
bioactive molecules with a broad spectrum of pharmacological properties. Consequently …
Crystallographic study, biological assessment and POM/Docking studies of pyrazoles-sulfonamide hybrids (PSH): Identification of a combined Antibacterial/Antiviral …
M Chalkha, A Nakkabi, TB Hadda, M Berredjem… - Journal of Molecular …, 2022 - Elsevier
The discovery and development of new potent antimicrobial and antioxidant agents is an
essential lever to protect living beings against pathogenic microorganisms and free radicals …
essential lever to protect living beings against pathogenic microorganisms and free radicals …
Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of …
The RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 is one of the optimum targets
for antiviral drug design and development. The hydroxyl groups of cytidine structures were …
for antiviral drug design and development. The hydroxyl groups of cytidine structures were …