In Silico Pharmacokinetics, Molecular Docking and Molecular Dynamics Simulation Studies of Nucleoside Analogs for Drug Discovery- A Mini Review
SMA Kawsar, NS Munia, S Saha… - Mini Reviews in …, 2024 - benthamdirect.com
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 …
Zn ionophores to suppress hydrogen evolution and promote uniform Zn deposition in aqueous Zn batteries
X Bai, Y Nan, K Yang, B Deng, J Shao… - Advanced Functional …, 2023 - Wiley Online Library
Uncontrolled Zn dendrites and undesirable side reactions such as Zn self‐corrosion and
hydrogen evolution reaction (HER) remain major challenges for the further development of …
hydrogen evolution reaction (HER) remain major challenges for the further development of …
Current insights into diagnosis, prevention strategies, treatment, therapeutic targets, and challenges of monkeypox (Mpox) infections in human populations
In the wake of the emergence and worldwide respread of a viral infection called Monkeypox
(Mpox), there is a serious threat to the health and safety of the global population. This viral …
(Mpox), there is a serious threat to the health and safety of the global population. This viral …
In silico evaluation of Iranian medicinal plant phytoconstituents as inhibitors against main protease and the receptor-binding domain of SARS-CoV-2
The novel coronavirus disease 2019 (COVID-19) is caused by the severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), which initially appeared in Wuhan, China, in …
syndrome coronavirus 2 (SARS-CoV-2), which initially appeared in Wuhan, China, in …
One-pot synthesis and molecular modeling studies of new bioactive spiro-oxindoles based on uracil derivatives as SARS-CoV-2 inhibitors targeting RNA polymerase …
The first outbreak in Wuhan, China, in December 2019 was reported about severe acute
coronaviral syndrome 2 (SARS-CoV-2). The global coronavirus disease 2019 (COVID-19) …
coronaviral syndrome 2 (SARS-CoV-2). The global coronavirus disease 2019 (COVID-19) …
Novel α-aminophosphonate derivates synthesis, theoretical calculation, Molecular docking, and in silico prediction of potential inhibition of SARS-CoV-2
Abstract Using the Density Functional Theory approach and in silico docking, the current
study analyzes the inhibitory role of a novel α-aminophosphonate derivative against SARS …
study analyzes the inhibitory role of a novel α-aminophosphonate derivative against SARS …
Plant-based phytochemical screening by targeting main protease of SARS-CoV-2 to design effective potent inhibitors
Simple Summary Virtual screening schemes, including molecular docking in conjunction
with molecular dynamics simulation, were accomplished, as they extend an ample …
with molecular dynamics simulation, were accomplished, as they extend an ample …
Synthesis, DFT investigation, ADME-T properties, molecular docking and molecular dynamics simulation of new α-aminophosphonate inhibitor targeting Mpro and …
R Kerkour, O Moumeni, N El houda Rabhi… - Journal of Molecular …, 2024 - Elsevier
A specific α-aminophosphonate molecule, namely diethyl (phenyl (4-pyridinylamino) methyl)
phosphonate (α-DAP), as a potential SARS-CoV-2 inhibitor, has been synthesized via a …
phosphonate (α-DAP), as a potential SARS-CoV-2 inhibitor, has been synthesized via a …
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 …
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 …