2009
DOI: 10.1002/anie.200903821
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Application of Fragment Growing and Fragment Linking to the Discovery of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase

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Cited by 144 publications
(153 citation statements)
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“…The conserved regions of pantothenate synthetase were found in the predicted sequences of the three coccidian parasites in a multiple-sequence alignment with Mycobacterium tuberculosis and Saccharomyces cerevisiae. Pantothenate synthetase is considered a potential drug target in M. tuberculosis (38)(39)(40). The T. gondii ortholog contains 34 strictly conserved residues and 14 of 15 active site residues, including the HIGH and KMSKS sequence motifs.…”
Section: Resultsmentioning
confidence: 99%
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“…The conserved regions of pantothenate synthetase were found in the predicted sequences of the three coccidian parasites in a multiple-sequence alignment with Mycobacterium tuberculosis and Saccharomyces cerevisiae. Pantothenate synthetase is considered a potential drug target in M. tuberculosis (38)(39)(40). The T. gondii ortholog contains 34 strictly conserved residues and 14 of 15 active site residues, including the HIGH and KMSKS sequence motifs.…”
Section: Resultsmentioning
confidence: 99%
“…A panel of 13 pantothenate synthetase inhibitors developed to target M. tuberculosis pantothenate synthetase were screened for their effects on the growth of T. gondii (39). In this assay, serial dilutions of inhibitors were tested for their effects on the growth of parasites infecting human fibroblasts.…”
Section: Resultsmentioning
confidence: 99%
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“…PHASE 3.3 implemented with Maestro 9.3 software package (Schrodinger, LLC) was used to generate pharmacophore. [13] The [14] Bond orders and formal charges were added to the hetero groups and hydrogen atoms were added to all atoms in the system.…”
Section: Computational Detailsmentioning
confidence: 99%
“…Хоча й є успішні приклади методу з'єднання фрагментів, вони залишаються швидше винятками. Порівняль-не дослідження методів з'єднування та нарощен-ня фрагментів показало, що вимоги до лінкерів суттєво обмежують поле оптимізації активних мо-лекул (із фрагментів), ніж це можливо у методі нарощення фрагментів [55].…”
Section: переваги та недоліки фрагмент-орієнто-ваного дизайну лікарсьunclassified