pe
pep-10513 v1 CC-BY-SA-4.0

Lysine vasopressin: water-retention hormone variant

A lab-made version of vasopressin, the body's natural water-regulating hormone, modified to reduce blood-pressure-raising effects while keeping its water-retention action; used only as a lab research tool.

statussynthesized targetAVPR1A length9 aa refs4
status 4 / 5
prediction metrics boltz-2 2.2.1
ipTM0.949
pTM0.861
avg pLDDT66.0
ranking score0.718
STRUCTURE · PEP-10513 × AVPR1A
ranking0.718
target interface 4.5Å peptide drag rotate · ctrl+scroll zoom · right-click pan
boltz-2 2.2.1 · mmCIF ↓ download
sequence9 aa
159
CYFQNCPKG
overview readme

What this is

(Lys8)-Vasopressin is a synthetic analog of the natural hormone vasopressin (also called arginine vasopressin or ADH), in which the arginine at position 8 of the native nine-amino-acid sequence is replaced by lysine. Like natural vasopressin, it is a cyclic nonapeptide; the stored sequence CYFQNCPKG encodes the backbone but does not show the disulfide bond between Cys1 and Cys6 that closes the ring, nor the C-terminal glycine amide (-NH₂) that caps the molecule — both of which are present in the active peptide and shared across the vasopressin/oxytocin family (Möller et al., 2007). The analog was first synthesized to probe how substitutions at position 8 alter the balance between the hormone's two main pharmacological actions: its antidiuretic (water-retaining) effect at the kidney and its pressor (blood-pressure-raising) effect at blood vessels.

History

Zaoral and colleagues synthesized (Lys8)-Vasopressin — alongside the D-Arg8 variant — in 1967, reporting both compounds in the Czech journal Collection of Czechoslovak Chemical Communications (Zaoral et al., 1967). The synthesis was part of the broader mid-twentieth-century effort to map the structure–activity relationships of vasopressin and oxytocin after Vincent du Vigneaud's group established the parent sequences. Position 8 was recognized early as a key determinant of receptor selectivity: natural vasopressin carries L-Arg at that site, while the related hormone oxytocin carries L-Leu, and the therapeutically important analog desmopressin uses D-Arg. Exploring Lys at position 8 was a logical step in understanding how the side-chain chemistry at that residue shapes pressor versus antidiuretic activity.

What it does

(Lys8)-Vasopressin acts at vasopressin receptors, with the lysine substitution shifting activity relative to the native arginine-containing hormone. The card's receptor assignments reflect this: the V1a receptor (avpr1a), which mediates vasoconstriction in blood vessels, is the primary listed target, with the V2 receptor (avpr2), which drives water reabsorption in the kidney collecting duct, listed as secondary. The V2 pathway operates through a cyclic AMP cascade that triggers aquaporin-2 water channel insertion into the apical membrane of renal tubule cells, producing concentrated urine (Robben et al., 2004). The nonpeptide V2-selective agonist OPC-51803, studied in cells expressing cloned human vasopressin receptor subtypes, offers a pharmacological comparison point for distinguishing V2 from V1a activity at the receptor level (Nakamura et al., 2000). The lysine side chain at position 8 is shorter and less bulky than arginine, and the absence of the guanidinium group likely reduces the interaction geometry with key residues that favor pressor signaling at V1a — a property consistent with the card's documented rationale of "reduced vasopressor activity while retaining antidiuretic signaling."

Evidence

  • Human: No human clinical data for (Lys8)-Vasopressin are present in the dossier.
  • Animal: Not documented in the available sources.
  • In vitro: The 1967 synthesis paper by Zaoral and colleagues reported the preparation of the compound; detailed receptor binding or functional assay data are not captured in the available dossier sources.

Mechanism

The vasopressin receptor family comprises three G-protein-coupled subtypes. V1a (avpr1a) couples to Gq, driving phospholipase C activation and vasoconstriction in smooth muscle. V2 (avpr2) couples to Gs, raising intracellular cAMP via adenylyl cyclase and driving aquaporin-2-mediated water reabsorption in the renal collecting duct — the antidiuretic effect. The position-8 residue in vasopressin-family peptides is a well-documented pharmacological handle: substitutions there reliably shift the V1a/V2 activity ratio. The Möller et al. (2007) study of conopressin variants in the venom of cone snails illustrates how structurally conserved the CYFQNCPKG scaffold is across vertebrates and invertebrates, with position-8 variation — Arg, Lys, Leu, Ile — producing the diverse receptor selectivity profiles seen across species. The Lys8 substitution in this analog removes the arginine guanidinium group, and the resulting change in receptor contact geometry is the presumed basis for the reduced pressor profile noted in the card metadata.

Related peptides

  • Vasopressin (arginine vasopressin / AVP) — the parent nine-amino-acid hormone from which (Lys8)-Vasopressin is derived by a single position-8 substitution; the founding member of the vasopressin/oxytocin family.
  • Desmopressin — the clinically established V2-selective analog (1-deamino-8-D-Arg vasopressin) engineered by Ferring to eliminate V1a pressor activity; the closest pharmacological comparator in therapeutic use.
  • Oxytocin — the nine-amino-acid sister hormone differing from vasopressin at positions 3 and 8; shares the Cys1–Cys6 disulfide ring and C-terminal amide scaffold.
Hypotheses5 directions▾ collapse

Research directions for this peptide, selected from the current sources — hypotheses you can explore and model. None of it is proven yet; tap any one to see the full thinking.

openupdated 2026-06-05

Does the AI binding prediction fail because it models the peptide as a flexible chain rather than the rigid ring it actually forms in biology?

If true, researchers relying on these scores to prioritize vasopressin analogs for development could be misled. Recognizing this gap would prompt better computational tools for cyclic peptide drugs, a class that includes many important hormones and antibiotics.

The hypothesis
The high ipTM (0.95) predicted for (Lys8)-vasopressin bound to AVPR1A/AVPR2 overstates true binding confidence because the structure prediction does not model the disulfide bond or C-terminal amide, meaning the deposited linear sequence CYFQNCPKG represents a less potent, reduced/linear form whose predicted binding geometry does not transfer directly to the active cyclic peptide.
Why it’s plausible
The stored sequence CYFQNCPKG is linear and does not encode the C1-C6 disulfide or the C-terminal glycinamide. Boltz-2 and similar structure predictors fold this as a linear peptide. The active hormone is a constrained ring; the disulfide reduces conformational entropy and pre-organizes the tyrosine-phenylalanine pharmacophore for receptor engagement. A linear prediction of a cyclic peptide will overestimate binding entropy and may place side chains in receptor contacts that are sterically inaccessible once the ring closes. The high ipTM may therefore reflect a locally favorable linear pose rather than the true cyclic binding mode.
Why it matters
If confirmed, this discrepancy warns against using ipTM scores from linear-sequence structure predictors as fidelity proxies for disulfide-constrained peptide hormones, and motivates explicit cyclic-peptide modeling pipelines for the vasopressin/oxytocin family.
Plausibility.90
Novelty.60
Impact.70
Basis · grounding1 paper · 2 computed/notes
[1]
structureipTM=0.9495, pLDDT=66; prediction performed on stored linear sequence which does not encode the disulfide or C-terminal amide.
[2]
paper
Two cysteines confirmed to form a disulfide by mass-shift experiment; cyclic constraint is essential to active conformation.
doi: 10.1042/bj20061480
[3]
noteStored sequence does not show the disulfide or C-terminal glycine amide; both are present in the active peptide and shared across the vasopressin/oxytocin family.
openupdated 2026-06-05

Can the Lys8 amino acid act as a built-in attachment point for molecular tags that make the drug last much longer in the body?

If confirmed, chemists could attach a fatty acid or polymer to this exact spot to create a once-weekly injection for diabetes insipidus or nighttime fluid disorders, making treatment far more convenient than current daily or multiple-daily doses.

The hypothesis
The primary epsilon-amine of Lys8 in (Lys8)-vasopressin provides a uniquely addressable conjugation handle absent in native Arg8-vasopressin, enabling site-specific PEGylation, lipidation, or antibody conjugation at position 8 without disturbing the disulfide-constrained pharmacophore ring, to produce long-acting antidiuretic conjugates.
Why it’s plausible
Desmopressin (D-Arg8) achieves prolonged antidiuretic action partly through resistance to aminopeptidase cleavage. An orthogonal strategy is to increase hydrodynamic radius or enable neonatal Fc receptor recycling via conjugation. Native Arg8 has a guanidinium that is chemically inert under mild bioconjugation conditions; Lys8's primary amine reacts selectively with NHS esters, maleimides (when thiol-protected), and aldehyde-based PEG reagents at physiological pH. The cyclic disulfide scaffold constrains the pharmacophore ring (residues 1-6) away from position 8, suggesting that a bulky conjugate at Lys8 might be accommodated in the receptor vestibule or positioned extracellularly during binding.
Why it matters
Site-specific Lys8-PEGylated or Lys8-fatty-acid conjugates of (Lys8)-vasopressin could achieve once-weekly antidiuretic dosing analogous to semaglutide's fatty-acid strategy for GLP-1, addressing compliance in chronic conditions such as central diabetes insipidus.
Plausibility.85
Novelty.55
Impact.75
Basis · grounding3 computed/notes
[1]
sequenceLys at position 8 provides a primary amine; no other primary amine is available in the ring (C1, C6 are disulfide-bonded cysteines; remaining residues lack reactive primary amines), making Lys8 a uniquely addressable site.
[2]
noteDisulfide C1-C6 closes the ring; the C-terminal glycine amide caps the C-terminus; position 8 is outside the constrained ring, suggesting steric accessibility for conjugation.
[3]
structurepLDDT=66 at the peptide level suggests local positional flexibility around position 8 relative to the receptor, consistent with room to accommodate a conjugate.
openupdated 2026-06-05

Does the Lys8 change make this peptide stay attached to its kidney receptor for a longer time, even if it does not bind more tightly?

A longer 'grip time' on the kidney receptor could mean longer-lasting water retention from a single dose, which would be valuable for patients who need stable fluid control overnight, such as those with bedwetting or nighttime urination disorders.

The hypothesis
The C-terminal lysine amide of (Lys8)-vasopressin creates a secondary electrostatic interaction with extracellular loop residues of AVPR2 that is absent in native Arg8-vasopressin, contributing to differential receptor residence time rather than differential equilibrium affinity.
Why it’s plausible
Receptor residence time (kon/koff kinetics) is increasingly recognized as a better predictor of in vivo duration of action than equilibrium Kd. Lys8 presents a primary amine (pKa ~10.5) that is fully protonated at physiological pH; Arg8 presents a guanidinium (pKa ~12.5) that is also fully protonated but with a larger, resonance-stabilized positive charge distributed over three nitrogens. The distinct geometry means Lys8 could form a salt bridge with different acidic residues in the extracellular loops of AVPR2 versus Arg8, altering how fast the peptide dissociates. A longer residence time at AVPR2 would prolong antidiuretic action independent of changes in peak affinity.
Why it matters
If Lys8 prolongs AVPR2 residence time, the compound could offer extended antidiuretic duration with a lower peak dose, reducing off-target AVPR1A activation that is transiently highest at peak plasma concentration.
Plausibility.50
Novelty.70
Impact.60
Basis · grounding3 computed/notes
[1]
sequencePosition 8 is Lys (primary amine, pKa ~10.5) versus native Arg (guanidinium, pKa ~12.5); distinct charge geometry at physiological pH predicts different electrostatic contacts with receptor loops.
[2]
structureipTM=0.9495 indicates a high-confidence predicted binding interface; pLDDT=66 suggests local flexibility at position 8, consistent with a dynamic side-chain interaction rather than a rigid locked contact.
[3]
noteAnalog designed to probe how position-8 substitutions alter balance between antidiuretic and pressor actions; kinetic mechanism not previously characterized.
openupdated 2026-06-05

Could this peptide influence the body's stress response through the pituitary gland without dangerously raising blood pressure?

If true, this could open a new way to treat stress-related disorders such as PTSD or Cushing's disease, conditions where the body's stress hormone system is overactive, without the blood pressure dangers of natural vasopressin.

The hypothesis
Because AVPR1B (V1b) receptors are Gq/11-coupled and mediate ACTH secretion from the pituitary, (Lys8)-vasopressin may engage AVPR1B with partial agonism sufficient to modulate the HPA stress axis at sub-pressor doses, offering a route to stress-axis modulation that native Arg8-vasopressin cannot safely achieve due to concomitant vasoconstriction.
Why it’s plausible
AVPR1B shares Gq/11 coupling with AVPR1A but is expressed predominantly in the anterior pituitary corticotrophs. If Lys8 reduces AVPR1A potency more than AVPR1B potency (because AVPR1B's binding pocket may differ in how it accommodates position-8 side chains), there could be a dose window where ACTH modulation occurs without cardiovascular effects. This is not yet characterized for Lys8 specifically. Dysregulation of the HPA axis underlies conditions including Cushing's disease, depression, and PTSD, making selective AVPR1B modulation a live therapeutic target.
Why it matters
A vasopressin analog with a favorable AVPR1B-to-AVPR1A selectivity ratio could enable stress-axis intervention without the cardiovascular liability that has limited native vasopressin in neuroendocrine indications.
Plausibility.45
Novelty.60
Impact.60
Basis · grounding1 paper · 2 computed/notes
[1]
paper
V1b receptors are Gq/11-coupled and mediate ACTH secretion; V1a receptors are Gq/11-coupled and responsible for vasoconstriction, providing two distinct pharmacological windows on the same coupling class.
doi: 10.1038/sj.bjp.0703221
[2]
noteAnnotated targets are AVPR1A and AVPR2; AVPR1B is structurally related and not yet characterized for this analog, leaving the selectivity profile incomplete.
[3]
sequenceLys8 substitution is the sole modification versus native vasopressin; differential pocket geometry at AVPR1B versus AVPR1A could yield differential potency.
openupdated 2026-06-05

Is the molecular 'ring shape' the main reason this peptide binds its receptor, with position 8 only fine-tuning strength?

If the ring structure is what locks the peptide onto the receptor, designers could freely adjust position 8 to tune potency and selectivity without worrying about losing the binding foothold. That insight could accelerate design of safer water-retention drugs.

The hypothesis
The high interface confidence (ipTM 0.95) of (Lys8)-vasopressin in complex with AVPR1A/AVPR2 reflects the disulfide-constrained cyclic scaffold rather than side-chain complementarity at position 8, meaning the Lys8 substitution is tolerated structurally but not optimized for receptor contacts, leaving measurable affinity loss without full displacement.
Why it’s plausible
The boltz-2 complex ipTM of 0.95 indicates high confidence in the predicted binding pose, yet the pLDDT of 66 suggests moderate local disorder, consistent with a rigid cyclic backbone that docks well but with a flexible or suboptimal position-8 side chain. The disulfide between C1 and C6 imposes a constrained ring that likely dominates the binding geometry shared across the vasopressin/oxytocin family. Lys8 can fill the position-8 pocket without disrupting the ring, but its shorter, linear amine lacks the H-bond donor geometry of Arg8's guanidinium, predicting partial potency loss rather than abolition of binding.
Why it matters
Understanding that the cyclic scaffold dominates docking confidence while position-8 chemistry modulates potency fine-tunes the structure-activity map for designing next-generation analogs that retain the rigid scaffold and tune selectivity via position 8 alone.
Plausibility.50
Novelty.50
Impact.40
Basis · grounding1 paper · 2 computed/notes
[1]
structureboltz-2 complex ipTM=0.9495, pLDDT=66; high interface confidence with moderate residue-level confidence suggests scaffold-driven docking with local positional uncertainty.
[2]
paper
Reduction and alkylation experiments confirm two cysteines form a disulfide, establishing the cyclic backbone as a structural constant across analogs.
doi: 10.1042/bj20061480
[3]
noteDisulfide C1-C6 and C-terminal glycine amide are present in the active peptide and shared across the vasopressin/oxytocin family.
details expand to inspect
full evidence table2 metrics
metricvaluetool
ipTM 0.9494625329971313 boltz-2
ranking score 0.7180057764053345 boltz-2
3-letter notation
Cys-Tyr-Phe-Gln-Asn-Cys-Pro-Lys-Gly
recipeboltz-2 2.2.1
parametervalue
modelboltz-2 2.2.1
weights
hardwarevast_v100_32gb
mlx version
python
random seed1
msa strategycolabfold_local
runtime
predicted by
predicted at2026-05-22
citationbibtex
peptidemodel (2026). Lysine vasopressin: water-retention hormone variant (pep-10513, v1). PeptideModel. https://peptidemodel.com/card/pep-10513
@peptide{pep10513,
  sequence = {CYFQNCPKG},
  target   = {avpr1a},
  author   = {peptidemodel},
  year     = {2026},
  status   = {synthesized}
}
related peptides 3 by signal overlap
clinical trials 762 on ct.gov · 80 on EUCTR · checked 2026-05-09
ct.gov trials 762
with results 121
EUCTR 80
PubMed RCT 429
by phase
3phase 22phase 36no phase
by status
5completed1recruiting1not yet recruiting1terminated2unknown
references 4 papers
discussion no comments
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