Durhamycin A

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Durhamycin A
• 英文别名: [(2R,3S,4R,6S)-6-[(2R,3R,4R,6S)-6-[[7-butan-2-yl-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-6-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-4-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate
• 化学式: C₆₂H₉₂O₂₈
• 分子量: 1285.4
• InChiKey: GKQPKEYSNFSHDQ-XQGPSDOPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  90
• 可旋转键数：
  21
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  403
• 氢给体数：
  11
• 氢受体数：
  28

文献信息

• Derivatives of mithramycin and methods of making and uses thereof
  申请人：Rohr Jurgen

  公开号：US20050192432A1

  公开（公告）日：2005-09-01

  The invention, in one aspect, generally relates to mithramycin derivatives from mutated Streptomyces argillaceous and their production. The invention also relates using the derivatives for the treatment of various diseases. Finally, the invention relates to a mutated Streptomyces argillaceous useful in the production of the mithramycin derivatives.

  本发明的一个方面通常涉及从变异的链霉菌中提取的米曲霉毒素衍生物。 链霉菌的米曲霉毒素衍生物 及其生产。本发明还涉及使用这些衍生物治疗各种疾病。最后，本发明涉及一种变异的 粗毛链霉菌 的变异链霉菌。
• Compositions And Methods For Predicting Inhibitors Of Protein Targets
  申请人：Lagunoff Michael

  公开号：US20120142623A1

  公开（公告）日：2012-06-07

  Compositions and methods are provided for predicting inhibitors of protein targets related to treatment of infectious disease, for example, bacterial, viral, or parasitic diseases. Methods are provided for predicting inhibitors of protein targets related to treatment infectious disease, for example, microbial disease, utilizing a docking with dynamics protocol to identify inhibitors, or utilizing a protein structure energy function to identify peptide or peptidomimetic inhibitors.
• US7423008B2
  申请人：——

  公开号：US7423008B2

  公开（公告）日：2008-09-09
• [EN] COMPOSITIONS AND METHODS FOR PREDICTING INHIBITORS OF PROTEIN TARGETS<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR PRÉDIRE DES INHIBITEURS DE CIBLES PROTÉIQUES
  申请人：UNIV WASHINGTON

  公开号：WO2008006085A2

  公开（公告）日：2008-01-10

  [EN] Compositions and methods are provided for predicting inhibitors of protein targets related to treatment of infectious disease, for example, bacterial, viral, or parasitic diseases. Methods are provided for predicting inhibitors of protein targets related to treatment infectious disease, for example, microbial disease, utilizing a docking with dynamics protocol to identify inhibitors, or utilizing a protein structure energy function to identify peptide or peptidomimetic inhibitors.
  [FR] L'invention concerne des compositions et des procédés permettant de prédire des inhibiteurs de cibles protéiques apparentées au traitement d'une maladie infectieuse, par exemple, des maladies bactériennes, virales ou parasitaires. L'invention concerne des procédés permettant de prédire des inhibiteurs de cibles protéiques apparentées au traitement d'une maladie infectieuse, par exemple, une maladie microbienne, à l'aide d'un amarrage/accostage avec un protocole de configuration dynamique pour identifier les inhibiteurs ou à l'aide d'une fonction d'énergie de structure protéique permettant d'identifier des inhibiteurs peptidiques ou peptidomimétiques.