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 …

In vitro potential antiviral SARS-CoV-19-activity of natural product thymohydroquinone and dithymoquinone from Nigella sativa

ER Esharkawy, F Almalki, TB Hadda - Bioorganic Chemistry, 2022 - Elsevier
Inflammation, oxidation, and compromised immunity all increase the dangers of COVID-19,
whereas many pharmaceutical protocols may lead to increased immunity such as ingesting …

[HTML][HTML] Macromolecules: Synthesis, antimicrobial, POM analysis and computational approaches of some glucoside derivatives bearing acyl moieties

MR Kayes, S Saha, MM Alanazi, Y Ozeki, D Pal… - Saudi Pharmaceutical …, 2023 - Elsevier
Macromolecules ie, carbohydrate derivatives are crucial to biochemical and medical
research. Herein, we designed and synthesized eight methyl α-D-glucopyranoside (MGP) …

How to face COVID-19: proposed treatments based on remdesivir and hydroxychloroquine in the presence of zinc sulfate. Docking/DFT/POM structural analysis

T Ben Hadda, M Berredjem, FA Almalki… - Journal of …, 2022 - Taylor & Francis
Remdesivir and hydroxychloroquine derivatives form two important classes of heterocyclic
compounds. They are known for their anti-malarial biological activity. This research aims to …

Synthesis, antimicrobial, SAR, PASS, molecular docking, molecular dynamics and pharmacokinetics studies of 5′-O-uridine derivatives bearing acyl moieties: POM …

NS Munia, MA Hosen, KMA Azzam… - … Nucleotides & Nucleic …, 2022 - Taylor & Francis
Because of their superior antibacterial and pharmacokinetic capabilities, many nucleoside-
based esters show potential against microorganisms, and may be used as pharmacological …

Design, synthesis, in silico and POM studies for the identification of the pharmacophore sites of benzylidene derivatives

MI Hosen, YE Mukhrish, AH Jawhari, I Celik, M Erol… - Molecules, 2023 - mdpi.com
Due to the uneven distribution of glycosidase enzyme expression across bacteria and fungi,
glycoside derivatives of antimicrobial compounds provide prospective and promising …

[HTML][HTML] Synthesis, spectral characterization, biological, FMO, MEP, molecular docking, and molecular dynamics simulation studies of cytidine derivatives as …

R Tabassum, SMA Kawsar, A Alam, S Saha… - Chemical Physics …, 2024 - Elsevier
Nucleoside derivatives are essential to medicinal chemistry because they provide
biologically active drugs. A 5´-O-palmitoyl derivative (2) was obtained by directly treating …

Synthesis, Characterization, and Biological Evaluation of Some Novel Pyrazolo[5,1-b]thiazole Derivatives as Potential Antimicrobial and Anticancer Agents

A Alsayari, AB Muhsinah, YI Asiri, FA Al-Aizari… - Molecules, 2021 - mdpi.com
The pharmacological activities of thiazole and pyrazole moieties as antimicrobial and
anticancer agents have been thoroughly described in many literature reviews. In this study …

Small Molecules with Spiro-Conjugated Cycles: Advances in Synthesis and Applications

EK Beloglazkina - International Journal of Molecular Sciences, 2023 - mdpi.com
Dear Colleagues, The purpose of this Special Issue was to attract the attention of
researchers to the features of the synthesis and physico-chemical and biological …

A pair of carbazate derivatives as novel Schiff base ligands: DFT and POM theory supported spectroscopic and biological evaluation

SA Majid, JM Mir, MA Bhat, AH Shalla… - Journal of …, 2023 - Taylor & Francis
Schiff bases are mentioned as strongly important molecular scaffolds of industrial and
medicinal purposes. Due to wide range applications of carbazate derivatives herein …