Author: Farhadi, Tayebeh; Hashemian, Seyed MohammadReza
Title: Computer-aided design of amino acid-based therapeutics: a review Document date: 2018_5_14
ID: q69f57el_47
Snippet: Peptide-driven pharmacophoric hypothesis is the most perceptive computational technique discovered in the peptidomimetics design. The method is especially useful when the X-ray structures of protein-protein complexes exist. 28 The main idea is to adapt the hot spot concept into the associated pharmacophoric feature concept. With a pharmacophorebased virtual screening process, this strategy can determine novel type 3 mimetics. 128 In fact, the sid.....
Document: Peptide-driven pharmacophoric hypothesis is the most perceptive computational technique discovered in the peptidomimetics design. The method is especially useful when the X-ray structures of protein-protein complexes exist. 28 The main idea is to adapt the hot spot concept into the associated pharmacophoric feature concept. With a pharmacophorebased virtual screening process, this strategy can determine novel type 3 mimetics. 128 In fact, the side chains of each amino acid can be simply categorized based on the conventional pharmacophoric characteristics, such as hydrogen bond donors and acceptors, aromatic ring and charged and hydrophobic centers.
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