Volume 4 (2022)
Volume 3 (2021)
Volume 2 (2020)
Volume 1 (2019)
Keywords = Molecular docking
Number of Articles: 4
1. Crystal structure, Hirshfeld surface, Energy framework, and Molecular docking analysis of 4-(methoxyphenyl)acetic acid
Volume 3, Issue 4 , December 2021, , Pages 333-347
Abstract
The crystal structure of (4-methoxyphenyl) acetic acid (C9H10O3) exists in the monoclinic space group P21/c having unit cell parameters: a = 16.268 (15), b = 5.858 (5), c = 9.157 (8) ... Read More
2. Substitution of Carbonyl Group of Ellagic Acid with Silanediol Group for Better Inhibition of VEGFR-2 Kinase Enzyme
Volume 2, Issue 2 , June 2020, , Pages 64-72
Abstract
Evaluating structural and medicinal properties of novel silicon containing molecules of Ellagic acid (EADC) is the main purpose of this work. Density functional theory (DFT) methods ... Read More
3. Withaferin A (WIT) Interaction with beta–Tubulin to Promote Tubulin Degradation: In Silico Study
Volume 2, Issue 1 , March 2020, , Pages 26-32
Abstract
The main purpose of present study is evaluation of structural and medicinal properties for Withaferin A (WIT) using density functional theory (DFT) method. All studies are done via ... Read More
4. Flavonoid Derivatives for Monoamine Oxidase–A Inhibition
Volume 1, Issue 1 , December 2019, , Pages 17-22