Peptide Information
General Information of This Peptide
| Peptide ID |
PEP00129
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| Peptide Name |
DPT-sh2
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| Structure |
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| Sequence |
RQKRLIRQKRLIRQKRLI
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| Peptide Type |
Linear
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| PDC Transmembrane Types | Cell-penetrating peptides (CPPs) | |||||
| Formula |
C105H200N42O22
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| Isosmiles |
[H]NCCCC[C@H](NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)[C@H](CCCCN[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@@H](N)CCC/N=C(\N)N[H])[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@]([H])(C(=O)O)[C@@H](C)CC
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| InChI |
InChI=1S/C105H200N42O22/c1-13-58(10)79(145-94(163)73(52-55(4)5)142-88(157)65(32-23-47-126-101(115)116)135-83(152)62(29-16-19-43-106)132-91(160)70(37-40-76(110)148)131-82(151)61(109)28-22-46-125-100(113)114)97(166)140-68(35-26-50-129-104(121)122)86(155)138-71(38-41-77(111)149)92(161)133-63(30-17-20-44-107)84(153)136-66(33-24-48-127-102(117)118)89(158)143-74(53-56(6)7)95(164)146-80(59(11)14-2)98(167)141-69(36-27-51-130-105(123)124)87(156)139-72(39-42-78(112)150)93(162)134-64(31-18-21-45-108)85(154)137-67(34-25-49-128-103(119)120)90(159)144-75(54-57(8)9)96(165)147-81(99(168)169)60(12)15-3/h55-75,79-81H,13-54,106-109H2,1-12H3,(H2,110,148)(H2,111,149)(H2,112,150)(H,131,151)(H,132,160)(H,133,161)(H,134,162)(H,135,152)(H,136,153)(H,137,154)(H,138,155)(H,139,156)(H,140,166)(H,141,167)(H,142,157)(H,143,158)(H,144,159)(H,145,163)(H,146,164)(H,147,165)(H,168,169)(H4,113,114,125)(H4,115,116,126)(H4,117,118,127)(H4,119,120,128)(H4,121,122,129)(H4,123,124,130)/t58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,79-,80-,81-/m0/s1
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| InChIKey |
YJILVLZMYUYUAH-CQQVTAEUSA-N
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| Pharmaceutical Properties |
Molecule Weight
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2403.027
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Polar area
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1151.75
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Complexity
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2401.582236
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xlogp Value
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-10.5784
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Heavy Count
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169
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Rot Bonds
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95
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Hbond acc
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31
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Hbond Donor
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37
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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-DPT-sh2 [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) | > 10 µM | |||
| 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