Peptide Information
General Information of This Peptide
| Peptide ID |
PEP00033
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| Peptide Name |
PasTAT
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| Structure |
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| Sequence |
FFLIPKGGRKKRRQRRRPPQ
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| Peptide Type |
Linear
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| PDC Transmembrane Types | Cell-penetrating peptides (CPPs) | |||||
| Formula |
C113H193N43O23
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| Isosmiles |
[H]NCCCC[C@H](NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN[H])NC(=O)[C@@H]1CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N[H])[C@@H](C)CC)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC(=O)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N[H])C(=O)O
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| InChI |
InChI=1S/C113H193N43O23/c1-5-65(4)89(153-101(172)80(59-64(2)3)152-100(171)81(61-67-29-10-7-11-30-67)151-90(161)68(117)60-66-27-8-6-9-28-66)106(177)155-57-25-41-83(155)102(173)148-69(31-12-15-47-114)91(162)139-62-87(159)138-63-88(160)140-70(34-18-50-132-108(120)121)92(163)141-71(32-13-16-48-115)93(164)142-72(33-14-17-49-116)94(165)143-73(35-19-51-133-109(122)123)95(166)144-75(37-21-53-135-111(126)127)97(168)147-77(43-45-85(118)157)99(170)146-74(36-20-52-134-110(124)125)96(167)145-76(38-22-54-136-112(128)129)98(169)149-78(39-23-55-137-113(130)131)104(175)156-58-26-42-84(156)105(176)154-56-24-40-82(154)103(174)150-79(107(178)179)44-46-86(119)158/h6-11,27-30,64-65,68-84,89H,5,12-26,31-63,114-117H2,1-4H3,(H2,118,157)(H2,119,158)(H,138,159)(H,139,162)(H,140,160)(H,141,163)(H,142,164)(H,143,165)(H,144,166)(H,145,167)(H,146,170)(H,147,168)(H,148,173)(H,149,169)(H,150,174)(H,151,161)(H,152,171)(H,153,172)(H,178,179)(H4,120,121,132)(H4,122,123,133)(H4,124,125,134)(H4,126,127,135)(H4,128,129,136)(H4,130,131,137)/t65-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-/m0/s1
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| InChIKey |
FNPUIFNLJYLRTJ-ARLPCWNOSA-N
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| Pharmaceutical Properties |
Molecule Weight
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2522.065
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Polar area
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1140.49
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Complexity
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2520.525449
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xlogp Value
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-11.7919
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Heavy Count
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179
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Rot Bonds
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90
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Hbond acc
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32
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Hbond Donor
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35
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Each Peptide-drug Conjugate Related to This Peptide
Full Information of The Activity Data of The PDC(s) Related to This Peptide
Cq-C4-PasTAT [Investigative]
Obtained from the Model Organism Data
| Experiment 1 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Malaria | ||||
| Efficacy Data | Half Maximal Inhibitory Concentration (IC50) |
8.5 µM
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| MOA of PDC |
The significant increase in the hemolytic activity of TP10 upon conjugation to the 4-aminoquinoline suggests that drug cargo prevents an otherwise active CPP carrier from exerting the desired cell penetrating/antiplasmodial action safely, as it produces conjugates that exert membranolytic activity.
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| Description |
Only three of the Cq-C4-CPP conjugates, namely, 5a, 5b, and 5g, displayed IC50 values below 10 μM, with TP10- and Transportan-derived conjugates 5a (IC50 = 1.52 μM) and 5b (IC50 = 5.20 μM) being the most active.
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| In Vivo Model | Plasmodium falciparum W2. | ||||
References