The purpose of this study was to design compounds with good computation docking results on Estrogen Receptor a and Estrogen Receptor p, by comparing with the molecular docking studies of tamoxifen and afimoxifene (4-hydroxy tamoxifen) for treatment of breast cancer. Afterwards, significant binding ...
L. An Anchor-Dependent Molecular Docking Process for Docking Small Flexible Molecules into Rigid Protein Receptors. J. ... TH Lin,GL Lin - 《Cheminform》 被引量: 6发表: 2008年 DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases In this paper we describe ...
Design, Synthesis and Molecular Docking of 1-Cyclopropyl-6- Fluoro-4-Oxo-7-{4-[2-(4-Substituted-Phenyl)-2-(Substituted)-Ethyl] -1-Piperazinyl}-1,4-Dihydroq... Background: Quinolone scaffolds are widely used for the synthesis of a number of medicinal compounds with variety of biological ...
Following a comprehensive screening process, we identified K35 and its analog K27 as compounds capable of dissipating PKM2 aggregates and restoring cellular function. Molecular docking of K35 or K27 with PKM2 revealed the compounds’ localization at the interface of two PKM2 monomers (Supplementary ...
Synthesis, cytotoxic activity, DNA binding and molecular docking studies of novel 9-anilinothiazolo[5,4-b]quinoline derivatives Novel thiazolo[5,4-b]quinoline derivatives were pr Solano,D Jose,Reyes-Rangel,... - 《Medicinal Chemistry Research An International Journal for Rapid Communications on Desig...
While the molecular identity of the mPTP is still the subject of feverous debate, to date several factors have been identified to be unequivocally crucial for its activation. Cyclophilin D (CYPD, encoded by Ppif), a mitochondrial matrix isomerase which can be inhibited pharmacologically by ...
Novel Thiophene Chalcones-Coumarin as Acetylcholinesterase Inhibitors: Design, Synthesis, Biological Evaluation, Molecular Docking, ADMET Prediction and Mo... A group of N-substituted 2-aminoacylamino-4,5,6,7-tetrahydro-benzo[ b ]thiophene-3-carbonitriles ( 1 ) was prepared from 2-amino-4,5,6...
Repurposing the inhibitors of COVID-19 key proteins through molecular docking approach Huda Ahmed Alghamdi, Syed Awais Attique, Wei Yan, Anam Arooj, ... Muhammad Zohaib Nawaz Pages 216-222 View PDF Review Articles select article Artificial intelligence: Potential tool to subside SARS-CoV-2 pandem...
Research on Moringa leaf function orientation based on text mining and molecular docking technology[J]. Chinese Journal of Chinese Materia Medica,2020,45(2):331−340. [5] 段琼芬, 李迅, 陈思多, 等. 辣木营养价值的开发利用[J]. 安徽农业科学,2008(29):12670−12672. [DUAN Qiongfen, LI...
Design, Molecular Docking, Synthesis, Preliminary In Silico ADME Studies, and Anti-inflammatory Evaluation of New Oxazole Derivatives Synthesis of lead compounds is a necessity. Challenges are evolving day by day, Inflammation is a must to consider. A series of new oxazole derivatives wer... Amer...