Spectroscopic, thermodynamic and molecular docking studies on molecular mechanisms of drug binding to proteins
Molecular recognition, which is the process of biological macromolecules interacting with
each other or various small molecules with a high specificity and affinity to form a specific …
each other or various small molecules with a high specificity and affinity to form a specific …
Cu (II)-tyrosinase enzyme catalyst mediated synthesis of mosquito larvicidal active pyrazolidine-3, 5-dione derivatives with molecular docking studies and their …
The objective of this study was to develop pyrazolidine-3, 5-dione derivatives with potential
as environmentally friendly pesticides for pest control, specifically focusing on their efficacy …
as environmentally friendly pesticides for pest control, specifically focusing on their efficacy …
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 …
The unusual architecture of RNA-dependent RNA polymerase (RdRp)'s catalytic chamber provides a potential strategy for combination therapy against COVID-19
The unusual and interesting architecture of the catalytic chamber of the SARS-CoV-2 RNA-
dependent RNA polymerase (RdRp) was recently explored using Cryogenic Electron …
dependent RNA polymerase (RdRp) was recently explored using Cryogenic Electron …
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 …
Cebranopadol: An Assessment for Its Biased Activation Potential at the Mu Opioid Receptor by DFT, Molecular Docking and Molecular Dynamic Simulation Studies
Cocaine use disorder is a psychiatric condition affecting millions of people worldwide. Up till
now, there are no FDA approved medications reported against this disorder. Previous …
now, there are no FDA approved medications reported against this disorder. Previous …
In situ carbonation mediated immobilization of arsenic oxyanions
MD Khan, YJ Song, S Shakya, C Lim, JW Ahn - Journal of Molecular …, 2023 - Elsevier
Arsenic oxyanions in water can pose severe environmental and health concerns due to
associated toxic and carcinogen characteristics. In calcareous environment, calcium …
associated toxic and carcinogen characteristics. In calcareous environment, calcium …
Spectroscopic and molecular docking analysis of π-acceptor complexes with the drug barbital
The drug barbital (Bar) has a strong sedative–hypnotic effect. The intermolecular charge
transfer compounds associated with the chemical reactions between Bar and some π …
transfer compounds associated with the chemical reactions between Bar and some π …
[HTML][HTML] Персонализированный подход к прогнозированию и профилактике галоперидол-индуцированного удлинения интервала QT: короткий обзор
РФ Насырова, АВ Кидяева, ВВ Гречкина… - Фармакогенетика и …, 2024 - cyberleninka.ru
Актуальность. Антипсихотики широко используются в психиатрии. Галоперидол
остаётся одним из наиболее часто используемым антипсихотиком в силу своей …
остаётся одним из наиболее часто используемым антипсихотиком в силу своей …
Impact of yohimbine on myoglobin stability: insights from molecular spectroscopic, and computational approaches
V Rupreo, J Bhattacharyya - Journal of Biomolecular Structure and …, 2024 - Taylor & Francis
The prolific role of bioactive ligands in interacting with a variety of proteins has become a
focal point of interest in pharmacokinetics and pharmacodynamics, thus sparking substantial …
focal point of interest in pharmacokinetics and pharmacodynamics, thus sparking substantial …