Crystal structure, Hirshfeld surface, Energy framework, and Molecular docking analysis of 4-(methoxyphenyl)acetic acid
1. Crystal structure, Hirshfeld surface, Energy framework, and Molecular docking analysis of 4-(methoxyphenyl)acetic acid

Ruchika Sharma; Sumati Anthal; Nitin G Ghatpande; Mahidansha M Shaikh; Jagannath S Jadhav; Saminathan Murugavel; Sonachalam Sundramoorthy; RAJNI Kant

Volume 3, Issue 4 , December 2021, , Pages 333-347

http://dx.doi.org/10.22034/ajcb.2021.307316.1097

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
Substitution of Carbonyl Group of Ellagic Acid with Silanediol Group for Better Inhibition of VEGFR-2 Kinase Enzyme
2. Substitution of Carbonyl Group of Ellagic Acid with Silanediol Group for Better Inhibition of VEGFR-2 Kinase Enzyme

Mehdi Nabati; Elham Pournamdari; Vida Bodaghi-Namileh; Yahya Dashti-Rahmatabadi; Saman Sarshar

Volume 2, Issue 2 , June 2020, , Pages 64-72

http://dx.doi.org/10.33945/SAMI/AJCB.2020.2.5

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
Withaferin A (WIT) Interaction with beta–Tubulin to Promote Tubulin Degradation: In Silico Study
3. Withaferin A (WIT) Interaction with beta–Tubulin to Promote Tubulin Degradation: In Silico Study

Mehdi Nabati; Elham Pournamdari; Yahya Dashti-Rahmatabadi; Saman Sarshar

Volume 2, Issue 1 , March 2020, , Pages 26-32

http://dx.doi.org/10.33945/SAMI/AJCB.2020.1.5

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
Flavonoid Derivatives for Monoamine Oxidase–A Inhibition
4. Flavonoid Derivatives for Monoamine Oxidase–A Inhibition

Arman N. Esfahani; Mahmoud Mirzaei

Volume 1, Issue 1 , December 2019, , Pages 17-22

http://dx.doi.org/10.33945/SAMI/AJCB.2019.1.4

Abstract
  The in silico molecular docking (MD) simulations have been performed to examine the efficacy of three flavonoid ligands including chrysin, apigenin and luteolin on monoamine oxidase–A ...  Read More