Computational Insights into Chromene/pyran Derivatives: Molecular Docking, ADMET Studies, DFT Calculations, and MD Simulations as Promising Candidates for …
A Rani, M Aslam, J Khan, G Pandey… - Chemistry & …, 2024 - Wiley Online Library
Parkinson′ s disease (PD) is a neurodegenerative condition characterized by both motor
and non‐motor symptoms. Although PD is commonly associated with a decline of …
and non‐motor symptoms. Although PD is commonly associated with a decline of …
Crystal Structure, Hirshfeld Surface, Vibrational Study, Optical Properties and Biological Activities of a Novel Hybrid Material 2-Methylpiperazine-1, 4-Dium …
Abstract A new (C5H14N2) CoCl4 compound was synthesized by slow evaporation at room
temperature. Asymmetric unit of this compound consists of one tetrahedral geometry [CoCl4] …
temperature. Asymmetric unit of this compound consists of one tetrahedral geometry [CoCl4] …
Quantum mechanical approaches and molecular docking analysis of platinum metal-based anticancer drugs Lobaplatin and Heptaplatin targeting cancer DNA-a …
M Sahadevan, M Sundaram, K Subramanian - Chemical Physics Letters, 2024 - Elsevier
The structural analysis and chemical reactivity of Lobaplatin and Heptaplatin were done
using Spectral analysis, NBO analysis, and Global Chemical Reactivity and HOMO-LUMO …
using Spectral analysis, NBO analysis, and Global Chemical Reactivity and HOMO-LUMO …
Persuasive phytoestrogenic imidazole-based selenium N-heterocyclic carbenes: electronic, structural, and in silico anticancer potential investigations
The cellular antioxidant defense mechanism against reactive oxygen species (ROS)
depends on selenium, a vital trace element. Numerous selenium-containing compounds …
depends on selenium, a vital trace element. Numerous selenium-containing compounds …
Biological Evaluation of Anti‐Cholinesterase Activity, in Silico Molecular Docking Studies, and DFT Calculations of Green Synthesized Thiadiazolo[3,2‐a]pyrimidine …
B Pouramiri, M Rashidi, S Lotfi… - Chemistry & …, 2023 - Wiley Online Library
Abstract A series of [1, 3, 4] thiadiazolo [3, 2‐a] pyrimidine‐6‐carboxylate derivatives 4 (a–n)
have been designed and synthesized as inhibitors of acetylcholinesterase (AChE) …
have been designed and synthesized as inhibitors of acetylcholinesterase (AChE) …
[HTML][HTML] SYNTHESIS, DIAGNOSIS, EVALUATION OF BIOLOGICAL ACTIVITY AND STUDY OF MOLECULAR DOCKING FOR FUROSEMIDE DERIVATIVE AND ITS …
AS Shihab - Kimya Problemleri, 2024 - cyberleninka.ru
This study includes the preparation and characterization of new compound (4-bromo-5-(N-
((4chlorophenyl)(1, 1-dioxide-3-oxobenzo isothiazol-2 (3H)-yl) methyl) sulfamoyl)-2-((furan2 …
((4chlorophenyl)(1, 1-dioxide-3-oxobenzo isothiazol-2 (3H)-yl) methyl) sulfamoyl)-2-((furan2 …