Peptide Information

General Information of This Peptide
Peptide ID
PEP00095
Peptide Name
ABD-RPARPAR
Structure
Sequence
MGCGSLAEAKVLANRELDKYGVSDFYKRLINKAKTVEGVEALKLHILAALPGGGSGGGSGGGSSRPARPAR
Peptide Type
Linear
PDC Transmembrane Types Cell-penetrating peptides (CPPs)
Formula
C313H520N96O95S2
Isosmiles
[H]NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO[H])NC(=O)CNC(=O)[C@H](CS[H])NC(=O)CNC(=O)[C@H](CCSC)N[H])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](CCCCN[H])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)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@]([H])(C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN[H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@]([H])(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO[H])C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO[H])C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO[H])C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O[H])[C@@H](C)CC)C(C)C)C(C)C
InChI
InChI=1S/C313H520N96O95S2/c1-40-163(27)248(302(497)395-199(115-153(7)8)279(474)357-165(29)251(446)353-166(30)259(454)397-212(120-158(17)18)307(502)407-109-62-78-220(407)295(490)351-135-230(426)341-132-227(423)343-137-232(428)363-214(144-411)264(459)346-133-228(424)339-130-225(421)342-136-231(427)362-213(143-410)263(458)347-134-229(425)340-131-226(422)344-138-233(429)364-216(146-413)292(487)398-217(147-414)293(488)380-195(76-60-107-337-312(329)330)306(501)409-111-64-80-222(409)296(491)360-172(36)255(450)379-194(75-59-106-336-311(327)328)305(500)408-110-63-79-221(408)297(492)361-173(37)256(451)381-196(308(503)504)77-61-108-338-313(331)332)405-290(485)207(124-178-129-333-150-352-178)391-281(476)201(117-155(11)12)384-271(466)184(69-47-53-100-316)372-280(475)200(116-154(9)10)382-257(452)170(34)356-268(463)192(91-95-240(438)439)378-298(493)244(159(19)20)400-236(432)141-348-261(456)190(89-93-238(434)435)377-300(495)247(162(25)26)403-304(499)250(174(38)416)406-276(471)187(72-50-56-103-319)368-252(447)167(31)354-266(461)182(67-45-51-98-314)371-286(481)209(126-224(322)420)396-303(498)249(164(28)41-2)404-289(484)203(119-157(15)16)386-273(468)189(74-58-105-335-310(325)326)370-269(464)183(68-46-52-99-315)373-283(478)206(123-177-83-87-180(418)88-84-177)389-284(479)205(121-175-65-43-42-44-66-175)390-288(483)211(128-243(444)445)393-294(489)218(148-415)399-299(494)245(160(21)22)401-237(433)142-349-262(457)204(122-176-81-85-179(417)86-82-176)388-272(467)185(70-48-54-101-317)374-287(482)210(127-242(442)443)392-282(477)202(118-156(13)14)385-274(469)193(92-96-241(440)441)376-270(465)188(73-57-104-334-309(323)324)375-285(480)208(125-223(321)419)383-258(453)171(35)359-278(473)198(114-152(5)6)394-301(496)246(161(23)24)402-275(470)186(71-49-55-102-318)367-253(448)168(32)355-267(462)191(90-94-239(436)437)369-254(449)169(33)358-277(472)197(113-151(3)4)387-291(486)215(145-412)365-234(430)140-350-265(460)219(149-505)366-235(431)139-345-260(455)181(320)97-112-506-39/h42-44,65-66,81-88,129,150-174,181-222,244-250,410-418,505H,40-41,45-64,67-80,89-128,130-149,314-320H2,1-39H3,(H2,321,419)(H2,322,420)(H,333,352)(H,339,424)(H,340,425)(H,341,426)(H,342,421)(H,343,423)(H,344,422)(H,345,455)(H,346,459)(H,347,458)(H,348,456)(H,349,457)(H,350,460)(H,351,490)(H,353,446)(H,354,461)(H,355,462)(H,356,463)(H,357,474)(H,358,472)(H,359,473)(H,360,491)(H,361,492)(H,362,427)(H,363,428)(H,364,429)(H,365,430)(H,366,431)(H,367,448)(H,368,447)(H,369,449)(H,370,464)(H,371,481)(H,372,475)(H,373,478)(H,374,482)(H,375,480)(H,376,465)(H,377,495)(H,378,493)(H,379,450)(H,380,488)(H,381,451)(H,382,452)(H,383,453)(H,384,466)(H,385,469)(H,386,468)(H,387,486)(H,388,467)(H,389,479)(H,390,483)(H,391,476)(H,392,477)(H,393,489)(H,394,496)(H,395,497)(H,396,498)(H,397,454)(H,398,487)(H,399,494)(H,400,432)(H,401,433)(H,402,470)(H,403,499)(H,404,484)(H,405,485)(H,406,471)(H,434,435)(H,436,437)(H,438,439)(H,440,441)(H,442,443)(H,444,445)(H,503,504)(H4,323,324,334)(H4,325,326,335)(H4,327,328,336)(H4,329,330,337)(H4,331,332,338)/t163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174+,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,244-,245-,246-,247-,248-,249-,250-/m0/s1
InChIKey
WQJLRHCMXYGACF-MZWOGPIUSA-N
Pharmaceutical Properties
Molecule Weight
7212.314
Polar area
3072.8
Complexity
7207.825152
xlogp Value
-37.3508
Heavy Count
506
Rot Bonds
262
Hbond acc
103
Hbond Donor
104
The Activity Data of This Peptide
Peptide Activity Information 1 [1]
A280nm 0 mAU
Binding Affinity Assay
To verify the binding affinity of the fusion peptides to serum albumin, we mixed the ABD-RGDK and ABD-RPARPAR fusion peptides with human serum albumin and transferrin in different molar ratios (1:0, 1:1, 1:2, 1:5, 1:10), separately. The concentration of fusion peptides in different groups should remain consistent. After mixing for 5 min, 500 μL of mixture was analyzed by a Superdex 75 HR column (10 300 mm ID, GE Healthcare) which was equilibrated and eluted with 20 mM PB, 0.1 M Na2SO4, pH 7.0. The peak heights of fusion peptides in various conditions were measured and compared to validate its binding affinity and the specificity to HSA.

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Experimental Condition Transferrin(ABD-RPARPAR: Tf 1: 0)
Peptide Activity Information 2 [1]
A280nm 0 mAU
Binding Affinity Assay
To verify the binding affinity of the fusion peptides to serum albumin, we mixed the ABD-RGDK and ABD-RPARPAR fusion peptides with human serum albumin and transferrin in different molar ratios (1:0, 1:1, 1:2, 1:5, 1:10), separately. The concentration of fusion peptides in different groups should remain consistent. After mixing for 5 min, 500 μL of mixture was analyzed by a Superdex 75 HR column (10 300 mm ID, GE Healthcare) which was equilibrated and eluted with 20 mM PB, 0.1 M Na2SO4, pH 7.0. The peak heights of fusion peptides in various conditions were measured and compared to validate its binding affinity and the specificity to HSA.

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Experimental Condition Human serum albumin(ABD-RPARPAR: HSA 1: 0)
Peptide Activity Information 3 [1]
A280nm 70 mAU
Binding Affinity Assay
To verify the binding affinity of the fusion peptides to serum albumin, we mixed the ABD-RGDK and ABD-RPARPAR fusion peptides with human serum albumin and transferrin in different molar ratios (1:0, 1:1, 1:2, 1:5, 1:10), separately. The concentration of fusion peptides in different groups should remain consistent. After mixing for 5 min, 500 μL of mixture was analyzed by a Superdex 75 HR column (10 300 mm ID, GE Healthcare) which was equilibrated and eluted with 20 mM PB, 0.1 M Na2SO4, pH 7.0. The peak heights of fusion peptides in various conditions were measured and compared to validate its binding affinity and the specificity to HSA.

   Click to Show/Hide
Experimental Condition Transferrin(ABD-RPARPAR: Tf 1: 1)
Peptide Activity Information 4 [1]
A280nm 70 mAU
Binding Affinity Assay
To verify the binding affinity of the fusion peptides to serum albumin, we mixed the ABD-RGDK and ABD-RPARPAR fusion peptides with human serum albumin and transferrin in different molar ratios (1:0, 1:1, 1:2, 1:5, 1:10), separately. The concentration of fusion peptides in different groups should remain consistent. After mixing for 5 min, 500 μL of mixture was analyzed by a Superdex 75 HR column (10 300 mm ID, GE Healthcare) which was equilibrated and eluted with 20 mM PB, 0.1 M Na2SO4, pH 7.0. The peak heights of fusion peptides in various conditions were measured and compared to validate its binding affinity and the specificity to HSA.

   Click to Show/Hide
Experimental Condition Human serum albumin(ABD-RPARPAR: HSA 1: 1)
Peptide Activity Information 5 [1]
A280nm 130 mAU
Binding Affinity Assay
To verify the binding affinity of the fusion peptides to serum albumin, we mixed the ABD-RGDK and ABD-RPARPAR fusion peptides with human serum albumin and transferrin in different molar ratios (1:0, 1:1, 1:2, 1:5, 1:10), separately. The concentration of fusion peptides in different groups should remain consistent. After mixing for 5 min, 500 μL of mixture was analyzed by a Superdex 75 HR column (10 300 mm ID, GE Healthcare) which was equilibrated and eluted with 20 mM PB, 0.1 M Na2SO4, pH 7.0. The peak heights of fusion peptides in various conditions were measured and compared to validate its binding affinity and the specificity to HSA.

   Click to Show/Hide
Experimental Condition Human serum albumin(ABD-RPARPAR: HSA 1: 2)
Peptide Activity Information 6 [1]
A280nm 140 mAU
Binding Affinity Assay
To verify the binding affinity of the fusion peptides to serum albumin, we mixed the ABD-RGDK and ABD-RPARPAR fusion peptides with human serum albumin and transferrin in different molar ratios (1:0, 1:1, 1:2, 1:5, 1:10), separately. The concentration of fusion peptides in different groups should remain consistent. After mixing for 5 min, 500 μL of mixture was analyzed by a Superdex 75 HR column (10 300 mm ID, GE Healthcare) which was equilibrated and eluted with 20 mM PB, 0.1 M Na2SO4, pH 7.0. The peak heights of fusion peptides in various conditions were measured and compared to validate its binding affinity and the specificity to HSA.

   Click to Show/Hide
Experimental Condition Transferrin(ABD-RPARPAR: Tf 1: 2)
Peptide Activity Information 7 [1]
A280nm 280 mAU
Binding Affinity Assay
To verify the binding affinity of the fusion peptides to serum albumin, we mixed the ABD-RGDK and ABD-RPARPAR fusion peptides with human serum albumin and transferrin in different molar ratios (1:0, 1:1, 1:2, 1:5, 1:10), separately. The concentration of fusion peptides in different groups should remain consistent. After mixing for 5 min, 500 μL of mixture was analyzed by a Superdex 75 HR column (10 300 mm ID, GE Healthcare) which was equilibrated and eluted with 20 mM PB, 0.1 M Na2SO4, pH 7.0. The peak heights of fusion peptides in various conditions were measured and compared to validate its binding affinity and the specificity to HSA.

   Click to Show/Hide
Experimental Condition Human serum albumin(ABD-RPARPAR: HSA 1: 5)
Peptide Activity Information 8 [1]
A280nm 320 mAU
Binding Affinity Assay
To verify the binding affinity of the fusion peptides to serum albumin, we mixed the ABD-RGDK and ABD-RPARPAR fusion peptides with human serum albumin and transferrin in different molar ratios (1:0, 1:1, 1:2, 1:5, 1:10), separately. The concentration of fusion peptides in different groups should remain consistent. After mixing for 5 min, 500 μL of mixture was analyzed by a Superdex 75 HR column (10 300 mm ID, GE Healthcare) which was equilibrated and eluted with 20 mM PB, 0.1 M Na2SO4, pH 7.0. The peak heights of fusion peptides in various conditions were measured and compared to validate its binding affinity and the specificity to HSA.

   Click to Show/Hide
Experimental Condition Transferrin(ABD-RPARPAR: Tf 1: 5)
Peptide Activity Information 9 [1]
A280nm 520 mAU
Binding Affinity Assay
To verify the binding affinity of the fusion peptides to serum albumin, we mixed the ABD-RGDK and ABD-RPARPAR fusion peptides with human serum albumin and transferrin in different molar ratios (1:0, 1:1, 1:2, 1:5, 1:10), separately. The concentration of fusion peptides in different groups should remain consistent. After mixing for 5 min, 500 μL of mixture was analyzed by a Superdex 75 HR column (10 300 mm ID, GE Healthcare) which was equilibrated and eluted with 20 mM PB, 0.1 M Na2SO4, pH 7.0. The peak heights of fusion peptides in various conditions were measured and compared to validate its binding affinity and the specificity to HSA.

   Click to Show/Hide
Experimental Condition Human serum albumin(ABD-RPARPAR: HSA 1: 10)
Peptide Activity Information 10 [1]
A280nm 700 mAU
Binding Affinity Assay
To verify the binding affinity of the fusion peptides to serum albumin, we mixed the ABD-RGDK and ABD-RPARPAR fusion peptides with human serum albumin and transferrin in different molar ratios (1:0, 1:1, 1:2, 1:5, 1:10), separately. The concentration of fusion peptides in different groups should remain consistent. After mixing for 5 min, 500 μL of mixture was analyzed by a Superdex 75 HR column (10 300 mm ID, GE Healthcare) which was equilibrated and eluted with 20 mM PB, 0.1 M Na2SO4, pH 7.0. The peak heights of fusion peptides in various conditions were measured and compared to validate its binding affinity and the specificity to HSA.

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Experimental Condition Transferrin(ABD-RPARPAR: Tf 1: 10)
Each Peptide-drug Conjugate Related to This Peptide
Full Information of The Activity Data of The PDC(s) Related to This Peptide
ABD-RPARPAR-DOXO [Investigative]
 PDC Info 
Obtained from the Model Organism Data
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Retarded the tumor growth rate
47.09%
Administration Time 20 days
Administration Dosage 3.0 mg/kg doxorubicin equivalent
Description
The doxorubicin, DOXO-EMCH, ABD-RGDK-DOXO, and ABD-RPARPAR-DOXO retarded the tumor growth rate by 24.28, 25.67, 47.78, and 47.09% on day 20, respectively.
In Vivo Model Tumor-bearing BALB/c nude mice.
Half life period 23.88 ± 0.94 h
Revealed Based on the Cell Line Data
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Data of This PDC [1]
Indication Tumor
Efficacy Data Half Maximal Inhibitory Concentration (IC50)
11.21 ± 4.54 µM
Evaluation Method CCK-8 assay
Description
Whereas conjugation of a peptide would hinder the passive diffusion route, resulting in higher IC50 values for the peptide-DOX-conjugates (9.27 ± 3.56 uM for ABD-RGDK-DOXO and 11.21 ± 4.54 uM for ABD-RPARPAR-DOXO, respectively).
In Vitro Model Lung adenocarcinoma A-549 cell CVCL_0023
Half life period 23.88 ± 0.94 h
References
Ref 1 Albumin Binding Domain Fusing R/K-X-X-R/K Sequence for Enhancing Tumor Delivery of Doxorubicin. Mol Pharm. 2017 Nov 6;14(11):3739-3749. doi: 10.1021/acs.molpharmaceut.7b00497. Epub 2017 Oct 9.