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1 Supporting Information Design, Synthesis, Molecular Dynamics Simulation and Functional Evaluation of a ovel Series of 26RFa Peptide Analogues Containing a Mono- or Polyalkyl Guanidino Arginine Derivative Karima Alim, 1 Benja Lefranc, 1,2 Jana Sopkova-de liveira Santos, 3 Christophe Dubessy, 1,2 Marie Picot, 1 Jean A. Boutin, 4 ubert Vaudry, 1,2 icolas Chartrel, 1 David Vaudry, 1,2 Julien Chuquet, 1 and Jérôme Leprince 1,2,* 1 ISERM U1239, Laboratory of euronal and euroendocrine Differentiation and Communication, ormandy University, 700 Rouen, France 2 Cell imaging platform of ormandy (PRIMACE), ormandy University, 700 Rouen, France 3 ormandy University, UICAE, EA 4258 CERM, FR CRS IC3M, Caen, France 4 Institut de Recherches Internationales Servier, 50 rue Carnot, Suresnes, France Molecular Formula, MALDI-Tof MS spectrum and RP-PLC analysis of the synthesized compounds 4a - 14c, 16. MD simulations. S1
2 % C 3 C Supplementary Figure S1: MALDI-Tof MS and RP-PLC analysis of [ar 25 ]26RFa (20-26), LV-2290, 4a M + = M t=18 S2
3 % C 3 C Supplementary Figure S2: MALDI-Tof MS and RP-PLC analysis of 26RFa (20-26), LV-2021, 4b M + = M + Ma + MK t=18.4 S3
4 % C 3 C Supplementary Figure S3: MALDI-Tof MS and RP-PLC analysis of [ar 25 ]26RFa (20-26) LV-2291, 4c M + M + = t=17.9 S4
5 % C 3 C Supplementary Figure S4: MALDI-Tof MS and RP-PLC analysis of [(Me) ar 25 ]26RFa (20-26), LV-2263, 5a 2 2 M + = M + Ma t=18.4 S5
6 % C 3 C Supplementary Figure S5: MALDI-Tof MS and RP-PLC analysis of [(Me) Arg 25 ]26RFa (20-26), LV-2186, 5b 2 2 M + = M + Ma + MK t=18.5 S6
7 % C 3 C Supplementary Figure S6: MALDI-Tof MS and RP-PLC analysis of [(Me) ar 25 ]26RFa (20-26), LV-2264, 5c 2 2 M + M + = Ma + MK t=18.3 S7
8 % C 3 C Supplementary Figure S7: MALDI-Tof MS and RP-PLC analysis of [(Me,Me), ar 25 ]26RFa (20-26), LV-2268, 6a 2 2 M + M + = t=18.3 S8
9 % C 3 C Supplementary Figure S8: MALDI-Tof MS and RP-PLC analysis of [(Me,Me), Arg 25 ]26RFa (20-26), LV-2185, 6b 2 2 M + M + = Ma t=19.1 S9
10 % C 3 C Supplementary Figure S9: MALDI-Tof MS and RP-PLC analysis of [(Me,Me), ar 25 ]26RFa (20-26), LV-2269, 6c 2 2 M + M + = t=18.4 S
11 % C 3 C Supplementary Figure S: MALDI-Tof MS and RP-PLC analysis of [(Me,Me), ar 25 ]26RFa (20-26), LV-2276, 7a 2 2 M + M + = t=18.2 S11
12 % C 3 C Supplementary Figure S11: MALDI-Tof MS and RP-PLC analysis of [(Me,Me), Arg 25 ]26RFa (20-26), LV-2199, 7b 2 2 M + = M + Ma + MK t=18.7 S12
13 % C 3 C Supplementary Figure S12: MALDI-Tof MS and RP-PLC analysis of [(Me,Me), ar 25 ]26RFa (20-26), LV-2277, 7c 2 2 M + M + = t=18.1 S13
14 % C 3 C Supplementary Figure S13: MALDI-Tof MS and RP-PLC analysis of [(Me,Me,Me),, ar 25 ]26RFa (20-26), LV-2278, 8a 2 2 M + = M + Ma + MK t= S14
15 % C 3 C Supplementary Figure S14: MALDI-Tof MS and RP-PLC analysis of [(Me,Me,Me),, Arg 25 ]26RFa (20-26), LV-2279, 8b 2 2 M + M + = t= S15
16 % C 3 C Supplementary Figure S15: MALDI-Tof MS and RP-PLC analysis of [(Me,Me,Me),, ar 25 ]26RFa (20-26), LV-2280, 8c 2 2 M + = M t= S16
17 % C 3 C Supplementary Figure S16: MALDI-Tof MS and RP-PLC analysis of [(Et) ar 25 ]26RFa (20-26), LV-2270, 9a 2 2 M + M + = t=18.6 S17
18 % C 3 C Supplementary Figure S17: MALDI-Tof MS and RP-PLC analysis of [(Et) Arg 25 ]26RFa (20-26), LV-2271, 9b 2 2 M + M + = Ma + MK t= S18
19 % C 3 C Supplementary Figure S18: MALDI-Tof MS and RP-PLC analysis of [(Et) ar 25 ]26RFa (20-26), LV-2272, 9c 2 2 M + = M + Ma t= S19
20 % C 3 C Supplementary Figure S19: MALDI-Tof MS and RP-PLC analysis of [(Et,Et), ar 25 ]26RFa (20-26), LV-2265, a 2 2 M + M + = Ma t=19.2 S20
21 % C 3 C Supplementary Figure S20: MALDI-Tof MS and RP-PLC analysis of [(Et,Et), Arg 25 ]26RFa (20-26), LV-2266, b 2 2 M + = M t=19.2 S21
22 % C 3 C Supplementary Figure S21: MALDI-Tof MS and RP-PLC analysis of [(Et,Et), ar 25 ]26RFa (20-26), LV-2267, c 2 2 M + = M t=19.2 S22
23 % C 3 C Supplementary Figure S22: MALDI-Tof MS and RP-PLC analysis of [(Et,Me), ar 25 ]26RFa (20-26), LV-2281, 11a 2 2 M + M + = t=18.6 S23
24 % C 3 C Supplementary Figure S23: MALDI-Tof MS and RP-PLC analysis of [(Et,Me), Arg 25 ]26RFa (20-26), LV-2282, 11b 2 2 M + M + = t=18.5 S24
25 % C 3 C Supplementary Figure S24: MALDI-Tof MS and RP-PLC analysis of [(Et,Me), ar 25 ]26RFa (20-26), LV-2283, 11c 2 2 M + M + = t=18.4 S25
26 % C 3 C Supplementary Figure S25: MALDI-Tof MS and RP-PLC analysis of [(Pr) ar 25 ]26RFa (20-26), LV-2273, 12a 2 2 M + M + = t=19.1 S26
27 % C 3 C Supplementary Figure S26: MALDI-Tof MS and RP-PLC analysis of [(Pr) Arg 25 ]26RFa (20-26), LV-2274, 12b 2 2 M + = M + Ma + MK t=19.1 S27
28 % C 3 C Supplementary Figure S27: MALDI-Tof MS and RP-PLC analysis of [(Pr) ar 25 ]26RFa (20-26), LV-2275, 12c 2 2 M + M + = t=19.1 S28
29 % C 3 C Supplementary Figure S28: MALDI-Tof MS and RP-PLC analysis of [(ibu) ar 25 ]26RFa (20-26), LV-2287, 13a 2 2 M + = M + Ma + MK t=19.6 S29
30 % C 3 C Supplementary Figure S29: MALDI-Tof MS and RP-PLC analysis of [(ibu) Arg 25 ]26RFa (20-26), LV-2288, 13b 2 2 M + M + = Ma t=19.5 S30
31 % C 3 C Supplementary Figure S30: MALDI-Tof MS and RP-PLC analysis of [(ibu) ar 25 ]26RFa (20-26), LV-2289, 13c 2 2 M + = M + Ma t=19.8 S31
32 % C 3 C Supplementary Figure S31: MALDI-Tof MS and RP-PLC analysis of [(Aze) ar 25 ]26RFa (20-26), LV-2284, 14a 2 2 M + M + = t=18.3 S32
33 % C 3 C Supplementary Figure S32: MALDI-Tof MS and RP-PLC analysis of [(Aze) Arg 25 ]26RFa (20-26), LV-2285, 14b 2 2 M + M + = t=18.2 S33
34 % C 3 C Supplementary Figure S33: MALDI-Tof MS and RP-PLC analysis of [(Aze) ar 25 ]26RFa (20-26), LV-2286, 14c 2 2 M + M + = t=18.3 S34
35 % C 3 C Supplementary Figure S34 : MALDI-Tof MS and RP-PLC analysis of [(Me) Arg 25 ]26RFa, LV-2294, 16 M + = M t=21.1 S35
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