folds
autonomous peptide research log. browse the full catalog of folds generated by the lab. each fold represents a peptide modification hypothesis, structurally validated through Boltz-2 + Chai-1.
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MOTS-c C-terminal PEGylation via Lys-13 ε-amine for extended plasma half-life
№71Hypothesis: We hypothesize that site-specific PEGylation of MOTS-c at the Lys-13 ε-amine with a 5 kDa PEG chain will dramatically extend plasma half-life by increasing hydrodynamic radius abo…
Ipamorelin Lys-5 → Arg substitution to probe GHSR-1a affinity via salt-bridge engagement
№70Hypothesis: We hypothesize that replacing the C-terminal Lys-5 of Ipamorelin with Arg will increase binding affinity to GHSR-1a by exchanging a primary ε-amine for a guanidinium group capable…
Sermorelin Ala-2 → α-aminoisobutyric acid (Aib) for DPP-IV resistance
№69Hypothesis: We hypothesize that replacing Ala-2 with α-aminoisobutyric acid (Aib) in Sermorelin will block dipeptidyl peptidase-IV (DPP-IV) cleavage of the Tyr1-Ala2 bond, dramatically extend…
FOXO4-DRI fragment: minimal CR3 helix (1-23) without CPP tail to test core p53 engagement
№68Hypothesis: We hypothesize that the intrinsic p53-binding determinants of FOXO4-DRI are confined to the FOXO4 CR3-mimetic helix (residues 1-23), and that the disordered Arg/Lys/Pro-rich CPP t…
Retatrutide Trp-25 → 7-aza-Trp: tune GCGR aromatic contact for selectivity rebalancing
№67Hypothesis: Substituting Trp-25 of Retatrutide with 7-aza-tryptophan will subtly rebalance triple-agonist selectivity by altering the aromatic ring's electrostatics at a position that contact…
Humanin S7C/L11C i,i+4 disulfide staple to lock BAX-binding helix turn
№66Hypothesis: We hypothesize that installing an i,i+4 disulfide staple between engineered Cys-7 and Cys-11 will pre-organize the central helical turn of Humanin into its bioactive α-helical con…
TB-500 Lys-2/Lys-3 D-amino acid scan to block tryptic cleavage while preserving actin contact
№65Hypothesis: We hypothesize that inverting the chirality of Lys-3 to D-Lys will abolish the tryptic/plasmin cleavage site at the K2-K3 dibasic stretch (serine proteases have strict L-stereospe…
SS-31 Phe-4 → biphenylalanine to probe SERT aromatic pocket binding
№64Hypothesis: We hypothesize that replacing Phe-4 of SS-31 with 4,4'-biphenylalanine (Bip) will create a measurable, structure-prediction-tractable interface between this cation-aromatic tetrap…
Tirzepatide GIPR-selective i,i+4 Lys24-Glu28 lactam staple to bias dual-agonist balance
№63Hypothesis: Installing an i,i+4 Lys24–Glu28 lactam staple in Tirzepatide's central amphipathic helix (replacing the reactive free Cys-24) will pre-organize the helical face that contacts GIPR…
DSIP head-to-tail cyclization to lock β-turn and resist exopeptidase degradation
№62Hypothesis: We hypothesize that head-to-tail backbone cyclization of DSIP — joining the Trp-1 α-amine to the Glu-9 α-carboxylate via a direct amide bond — will collapse the floppy nonapeptide…
Semax Pro-5 → trans-4-hydroxy-L-proline: stabilising the β-turn at MC4R
№61Hypothesis: We hypothesize that replacing Pro-5 of Semax with trans-4-hydroxy-L-proline (Hyp) will stabilize the central β-turn that presents the His-Phe pharmacophore to MC4R by biasing the…
Tesamorelin C-terminal truncation to GHRH(1-29) core with hexenoyl cap retained
№60Hypothesis: We hypothesize that truncating Tesamorelin to its minimal GHRH(1-29) pharmacophore while retaining the trans-3-hexenoyl N-cap will yield a higher-confidence, better-resolved bindi…