ProForma 2.0
validated simple linear
RWLRGLLSGLLRRLLSGLLL
DFTavP1
Aliases: DFTavP1
Normalized sequence
RWLRGLLSGLLRRLLSGLLL
20 amino acids
Release PepDiana-V1-20260620
14
Activity records
1
Source papers
12
Positive
2
Negative / threshold
Versioned scientific descriptors
No separate physicochemical property was reported in the primary-literature identity record. PepDiana release values are shown as computed properties.
Molecular weight
2305.8525 Da
Molecular formula
C107H189N33O23
Theoretical pI
12
Net charge at pH 7
3.7601
GRAVY
0.815
Instability index
87.965
Aromaticity
0.05
Topological polar surface area
920.07 Ų
cLogP
-4.2736
Hydrogen-bond donors
36
Hydrogen-bond acceptors
27
Rotatable bonds
79
Method: PepDiana sequence/structure descriptor pipeline
Tool: Biopython+RDKit · Biopython 1.85; RDKit 2024.09.6
Calculated: 2026-06-20T11:01:38.358971+00:00
Assumptions: ph=7; termini=free N-terminus and free C-terminus for simple linear peptides; stereochemistry=standard L-amino acids; smiles_length_limit=200
ProForma 2.0
validated simple linear
RWLRGLLSGLLRRLLSGLLL
HELM 2.0
validated simple linear
PEPTIDE1{R.W.L.R.G.L.L.S.G.L.L.R.R.L.L.S.G.L.L.L}$$$$V2.0
Canonical SMILES
validated
CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCCNC(=N)N)C(=O)O
Isomeric SMILES
validated
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O
Paper-level observations
Table 2: DFTavP1 MIC 8–16 µM against S. aureus USA300.
Table 2: DFTavP1 MIC 8–16 µM against S. epidermidis 1457.
Table 2: DFTavP1 MIC 16 µM against E. coli E416-7.
Table 2: DFTavP1 MIC 32 µM against P. aeruginosa #2.
Table 2: DFTavP1 MIC 16–32 µM against K. pneumoniae E406-17.
Table 2: DFTavP1 MIC 8 µM against A. baumannii B28-16.
Table 3: DFTavP1 hRBC HC50 <12.5 µM.
Table 3: DFTavP1 mRBC HC50 <10 µM.
Table 3: DFTavP1 HaCaT TC50 25 µM.
Table 3: DFTavP1 Vero Cell TC50 2.39 µM.
Table 3: DFTavP1 Calu3 Cell TC50 11.88 µM.
Section 2.1: DFTavP1 showed an 18% higher inhibition than LL-37 at 2.5 µM (Figure 4).
Section 2.3: DFTavP1 displayed 69% inhibition at 2.5 µM when treated immediately after infection (Figure 5A).
Section 2.3: DFTavP1, in the 4 h postinfection treatment study, showed a major decrease of 54% inhibition at 5 µM.
Citation and release provenance
Cite this identity as PepDiana record PEPDIA-PLP-002612, release PepDiana-V1-20260620. Experimental observations retain their paper, mention, and activity-record identifiers.
Record updated: 2026-06-22T07:14:26.229247+00:00