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 …
Design, synthesis, anti-acetylcholinesterase evaluation and molecular modelling studies of novel coumarin-chalcone hybrids
The major enzyme responsible for the hydrolytic breakdown of the neurotransmitter
acetylcholine (ACh) is acetylcholinesterase (AChE). Acetylcholinesterase inhibitors …
acetylcholine (ACh) is acetylcholinesterase (AChE). Acetylcholinesterase inhibitors …
Synthesis, biological evaluation and molecular modeling studies of modulated benzyloxychalcones as potential acetylcholinesterase inhibitors
Acetylcholinesterase inhibitors (AChEIs) have become a significant target in the search for
an efficient treatment of Alzheimer's disease. Chalcone-based compounds display a strong …
an efficient treatment of Alzheimer's disease. Chalcone-based compounds display a strong …
Exploring the co‐activity of FDA approved drug gemcitabine and docetaxel for enhanced anti‐breast cancer activity: DFT, docking, molecular dynamics simulation and …
Combining FDA‐approved medications may increase biological activity by simultaneously
targeting many protein mechanisms while being less toxic. Gemcitabine and docetaxel …
targeting many protein mechanisms while being less toxic. Gemcitabine and docetaxel …
Methyl 4-pyridyl ketone thiosemicarbazone (4-PT) as an effective and safe inhibitor of mushroom tyrosinase and antibrowning agent
NA Hassanuddin, E Normaya, H Ismail, A Iqbal… - International Journal of …, 2024 - Elsevier
Enzymatic browning is of concern as it can affect food safety and quality. In this study, an
effective and safe tyrosinase inhibitor and anti-browning agent, methyl 4-pyridyl ketone …
effective and safe tyrosinase inhibitor and anti-browning agent, methyl 4-pyridyl ketone …
Investigating the binding of organic charge transfer co-crystals to human serum albumin by experimental and theoretical methods: spectroscopy, molecular docking …
A new complex was formed by the transfer of charge between 2-ethylimidazole (2-EIM) as
an electron donor and 1, 2, 4, 5-benzenetetracarboxylic acid (BTC) as a π acceptor and …
an electron donor and 1, 2, 4, 5-benzenetetracarboxylic acid (BTC) as a π acceptor and …
Design, synthesis, molecular docking, biological evaluation, DFT and ADME studies of novel bisquinazolinone derivatives
Novel derivatives of bisquinazolinones and bisfuramides were synthesized and tested for
their efficiency in this work. Within short reaction times (1–10 min), bisfuramide derivatives …
their efficiency in this work. Within short reaction times (1–10 min), bisfuramide derivatives …
Novel penicillin derivatives against selected multiple-drug resistant bacterial strains: Design, synthesis, structural analysis, in silico and in vitro studies
Introduction: The rising numbers of multiple drug-resistant (MDR) pathogens and the
consequent antibacterial therapy failure that resulted in severe medical conditions push to …
consequent antibacterial therapy failure that resulted in severe medical conditions push to …
New azole-derived hemiaminal ethers as promising acetylcholinesterase inhibitors: synthesis, X-ray structures, in vitro and in silico studies
M Nisar, HY Gondal, ZM Cheema… - Journal of …, 2023 - Taylor & Francis
A new class of azole-derived hemiaminal ethers is designed as acetylcholinesterase (AChE)
inhibitors. The synthesized compounds exhibited remarkable inhibitory activity against …
inhibitors. The synthesized compounds exhibited remarkable inhibitory activity against …
A theoretical study to understand the impact of Mpro of nCoV on the hormones
M Babu Singh, Himani, S Yadav, P Singh - ChemistrySelect, 2024 - Wiley Online Library
Amidst the unprecedented 2019 coronavirus outbreak and the substantial loss of lives due
to the scarcity of information about the virus and lack of viable drugs, understanding the …
to the scarcity of information about the virus and lack of viable drugs, understanding the …