Inhibitory potential of nitrogen, oxygen and sulfur containing heterocyclic scaffolds against acetylcholinesterase and butyrylcholinesterase
Heterocycles are the key structures in organic chemistry owing to their immense applications
in the biological, chemical, and pharmaceutical fields. Heterocyclic compounds perform …
in the biological, chemical, and pharmaceutical fields. Heterocyclic compounds perform …
A review on recent approaches on molecular docking studies of novel compounds targeting acetylcholinesterase in Alzheimer disease
SC Peitzika, E Pontiki - Molecules, 2023 - mdpi.com
Alzheimer's disease (AD), a neurodegenerative brain disorder that affects millions of people
worldwide, is characterized by memory loss and cognitive decline. Low levels of …
worldwide, is characterized by memory loss and cognitive decline. Low levels of …
Design, synthesis, anti-proliferative evaluation, docking, and MD simulations studies of new thiazolidine-2, 4-diones targeting VEGFR-2 and apoptosis pathway
We report herein, the design and synthesis of thiazolidine-2, 4-diones derivatives as new
inhibitors for VEGFR-2. The designed members were assessed for their in vitro anticancer …
inhibitors for VEGFR-2. The designed members were assessed for their in vitro anticancer …
Thiazole-pyrazoline hybrids as potential antimicrobial agent: Synthesis, biological evaluation, molecular docking, DFT studies and POM analysis
In this study, an efficient synthesis of new thiazole-pyrazoline hybrids was investigated and
hybrids were screened for their antimicrobial activities against four species of pathogenic …
hybrids were screened for their antimicrobial activities against four species of pathogenic …
Potential inhibitory activity of phytoconstituents against black fungus: In silico ADMET, molecular docking and MD simulation studies
Mucormycosis or “black fungus” has been currently observed in India, as a secondary
infection in COVID-19 infected patients in the post-COVID-stage. Fungus is an uncommon …
infection in COVID-19 infected patients in the post-COVID-stage. Fungus is an uncommon …
Protective effect of the newly synthesized and characterized charge transfer (CT) complex against arecoline induced toxicity in third-instar larvae of transgenic …
S Shakya, IM Khan, B Shakya, YH Siddique… - Journal of Materials …, 2023 - pubs.rsc.org
Agents that suppress the toxic effect of arecoline (a chemical present in the Areca nut fruit)
have become a need of the hour owing to its several harmful effects on human beings …
have become a need of the hour owing to its several harmful effects on human beings …
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 …
Green synthesis, antibacterial and antifungal evaluation of new thiazolidine-2, 4-dione derivatives: molecular dynamic simulation, POM study and identification of …
S Ahmed, AR Bhat, AK Rahiman… - Journal of …, 2024 - Taylor & Francis
In this study, a series of thiazolidine-2, 4-dione derivatives 3a–i were synthesized and
evaluated for antibacterial activity against Gram-positive and Gram-negative strains of …
evaluated for antibacterial activity against Gram-positive and Gram-negative strains of …
Discovery of novel coumarin-schiff base hybrids as potential acetylcholinesterase inhibitors: design, synthesis, enzyme inhibition, and computational studies
AH Hasan, FA Abdulrahman, AJ Obaidullah… - Pharmaceuticals, 2023 - mdpi.com
To discover anti-acetylcholinesterase agents for the treatment of Alzheimer's disease (AD), a
series of novel Schiff base-coumarin hybrids was rationally designed, synthesized …
series of novel Schiff base-coumarin hybrids was rationally designed, synthesized …
One-pot synthesis, molecular docking, ADMET, and DFT studies of novel pyrazolines as promising SARS-CoV-2 main protease inhibitors
Pyrazoline and its derivatives have numerous prominent pharmacological effects. Focusing
on its anti-viral property, we have designed and synthesized three novel pyrazoline …
on its anti-viral property, we have designed and synthesized three novel pyrazoline …