関連する実験動画

Updated: Feb 13, 2026

Use of Viral Entry Assays and Molecular Docking Analysis for the Identification of Antiviral Candidates against Coxsackievirus A16
06:03

Use of Viral Entry Assays and Molecular Docking Analysis for the Identification of Antiviral Candidates against Coxsackievirus A16

Published on: July 15, 2019

8.4K

テトラ置換されたイミダゾール誘導体の合成と多次元的調査:光譜検査,DFT/NLO特性,毒性分析,分子ドッキング,動態シミュレーション

R Madhu Babu1, Natrayan Lakshmaiya1

  • 1Department of Research and Innovation, Saveetha School of Engineering, SIMATS, Chennai, Tamil Nadu, India.

Drug and chemical toxicology
|February 12, 2026
PubMed
まとめ

新しいテトラ置換イミダゾール誘導体 (BDIM) は,光電子アプリケーションとSARS-CoV-2抑制に有望であることが示されています. 計算分析により,その構造と安定性が確認され,さらなる機能化と薬物開発の可能性が示されました.

キーワード:
ADMETの分析は,ADMETの分析として行われている.DFT (デフォルト・ファイナンス・フォート) とはイミダゾール イミダゾールダイナミクスのシミュレーション分子ドッキングドッキングです.

さらに関連する動画

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

1.3K
Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

5.1K

関連する概念動画

Kinetic Molecular Theory and Gas Laws Explain Properties of Gas Molecules02:34

Kinetic Molecular Theory and Gas Laws Explain Properties of Gas Molecules

The test of the kinetic molecular theory (KMT) and its postulates is its ability to explain and describe the behavior of a gas. The various gas laws (Boyle’s, Charles’s, Gay-Lussac’s, Avogadro’s, and Dalton’s laws) can be derived from the assumptions of the KMT, which have led chemists to believe that the assumptions of the theory accurately represent the properties of gas molecules.
37.6K
IR Spectroscopy: Molecular Vibration Overview01:24

IR Spectroscopy: Molecular Vibration Overview

When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
4.8K
Molecular Spectroscopy: Absorption and Emission01:14

Molecular Spectroscopy: Absorption and Emission

Molecules possess discrete energy levels called quantum states. Unlike atoms, which have simpler energy levels, molecules possess additional rotational and vibrational energy levels.  Each energy level is separated by an energy gap, with the gaps between adjacent electronic, vibrational, and rotational levels varying significantly. The three types of energy levels in a diatomic molecule are shown in Figure 1.
4.7K
Relation of DFT to z-Transform01:20

Relation of DFT to z-Transform

The Discrete Fourier Transform (DFT) is a crucial tool for analyzing the frequency content of discrete-time signals. It converts a sequence of N samples from the time domain into its corresponding sequence in the frequency domain, where each sample represents a specific frequency component.
To understand how the DFT works, it's helpful to consider the z-transform, which is a method for representing discrete sequences in the complex frequency domain. The z-transform involves summing the...
847
Spectroscopy of Carboxylic Acid Derivatives01:26

Spectroscopy of Carboxylic Acid Derivatives

Infrared spectroscopy is primarily used to determine the types of bonds and functional groups. In carboxylic acid derivatives, a typical carbonyl bond absorption is observed around 1650–1850 cm−1. For esters, the absorption is recorded at around 1740 cm−1, while acid halides show the absorption at about 1800 cm−1. Another acid derivative, the acid anhydrides, exhibit two carbonyl absorption around 1760 cm−1 and 1820 cm−1, arising from the symmetrical and...
3.1K
NMR Spectroscopy of Benzene Derivatives01:34

NMR Spectroscopy of Benzene Derivatives

Simple unsubstituted benzene has six aromatic protons, all chemically equivalent. Therefore, benzene exhibits only a singlet peak at δ 7.3 ppm in the 1H NMR spectrum. The observed shift is far downfield because the aromatic ring current strongly deshields the protons. Any substitution on the benzene ring makes the aromatic protons nonequivalent, and the protons split each other. The peak is, therefore, no longer a singlet and the splitting pattern and their associated coupling...
11.3K