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Phosphodiester Linkages01:01

Phosphodiester Linkages

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Overview
Phosphodiester bond forms when a phosphoric acid molecule (H3PO4) links with two hydroxyl groups (–OH) of two other molecules, forming two ester bonds. Two water molecules are released in this process. The phosphodiester bond is commonly found in nucleic acids (DNA and RNA) and plays a critical role in their structure and function.
Phosphodiester Bonds Link Nucleotides Together
DNA and RNA are polynucleotides or long chains of nucleotides that are linked together. A nucleotide is...
100.1K
Peptide Bonds02:43

Peptide Bonds

74.6K
A peptide bond covalently attaches amino acids through a dehydration reaction. One amino acid's carboxyl group and another amino acid's amino group combine, releasing a water molecule. The resulting bond is the peptide bond. The products that such linkages form are peptides. As more amino acids join this growing chain, the resulting chain is a polypeptide. Each polypeptide has a free amino group at one end. This end has the N-terminal, or the amino-terminal, and the other end has a free...
74.6K

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相关实验视频

Updated: Jul 12, 2025

Constructing Cyclic Peptides Using an On-Tether Sulfonium Center
07:11

Constructing Cyclic Peptides Using an On-Tether Sulfonium Center

Published on: September 28, 2022

2.7K

循环连接器设计和优化通过分子动力学模拟.

Lei Yu1, Stephanie A Barros1, Chengzao Sun1

  • 1Janssen Research & Development, LLC, Spring House, Pennsylvania 19477, United States.

Journal of chemical information and modeling
|October 30, 2023
PubMed
概括

我们开发了一种分子动力学模拟方法,以评估链接器修改如何影响循环稳定性. 这种方法有助于设计更强大,更稳定的循环,用于药物发现.

科学领域:

  • 计算化学和分子建模.
  • 药物化学和药物发现
  • 生物物理和结构生物学

背景情况:

  • 循环是有前途的治疗药物,由于其高亲和力和选择性,准蛋白质-蛋白质相互作用.
  • 宏循环是稳定形状和增强药物特性的一个关键策略.
  • 预测宏环化对稳定性和结合性的影响对于药物设计至关重要.

研究的目的:

  • 提出一种新的计算方法,用于评估链接器变异对循环形态稳定性的影响.
  • 为了证明该方法在各种循环结构和蛋白质标 (PCSK9,素,MDM2) 中的适用性.
  • 为了将溶液稳定性与受体结合形状和结合亲和关系相关联.

主要方法:

  • 使用明确溶剂增强采样分子动力学 (MD) 模拟.
  • 多种连接器长度和化学成分,以评估形状稳定性.
  • 将该方法应用于针对PCSK9,素和MDM2.2的三个循环序列.

主要成果:

  • 模拟通常表明,对于高亲和度循环的受体结合形态,溶液稳定性更高.
  • 这一发现支持了这种假设,即连接体的预组织增强了结合亲和力.
  • 研究了力场和采样对特定序列的模拟结果的影响.

更多相关视频

Constructing Thioether/Vinyl Sulfide-tethered Helical Peptides Via Photo-induced Thiol-ene/yne Hydrothiolation
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Constructing Thioether/Vinyl Sulfide-tethered Helical Peptides Via Photo-induced Thiol-ene/yne Hydrothiolation

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Development of a Backbone Cyclic Peptide Library as Potential Antiparasitic Therapeutics Using Microwave Irradiation
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Development of a Backbone Cyclic Peptide Library as Potential Antiparasitic Therapeutics Using Microwave Irradiation

Published on: January 26, 2016

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相关实验视频

Last Updated: Jul 12, 2025

Constructing Cyclic Peptides Using an On-Tether Sulfonium Center
07:11

Constructing Cyclic Peptides Using an On-Tether Sulfonium Center

Published on: September 28, 2022

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Constructing Thioether/Vinyl Sulfide-tethered Helical Peptides Via Photo-induced Thiol-ene/yne Hydrothiolation
11:09

Constructing Thioether/Vinyl Sulfide-tethered Helical Peptides Via Photo-induced Thiol-ene/yne Hydrothiolation

Published on: August 1, 2018

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Development of a Backbone Cyclic Peptide Library as Potential Antiparasitic Therapeutics Using Microwave Irradiation
08:48

Development of a Backbone Cyclic Peptide Library as Potential Antiparasitic Therapeutics Using Microwave Irradiation

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结论:

  • 开发的MD模拟方法有效估计了宏环化对稳定性的影响.
  • 这些发现为优化循环的设计提供了洞察力,以提高功效和稳定性.
  • 在内部药物发现计划中成功地应用了这种计算方法,用于设计增强的循环.