Peptide based nano-drug candidate for cancer treatment: Preparation, characterization, in vitro and in silico evaluation

Bıçak, Bilge; Budama‐Kilinc, Yasemin; Kecel‐Gunduz, Serda; Zorlu, Tolga; Akman, Gizem

doi:10.1016/j.molstruc.2021.130573

Cited by 5 publications

(9 citation statements)

References 70 publications

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“…Considering both experimental and theoretical studies performed with Tyr-Lys-Thr, it was determined that Tyr-Lys-Thr tripeptide has a cytotoxic effect on prostate, breast and cervical cancer cells (Mat-LyLu, MCF-7, and HeLa cell lines) and has an anti-cancer potential in vitro studies. In molecular docking studies, it was determined that it made strong bindings with androgen, estrogen, progesterone, and EGFR receptors, supporting the experimental studies [20][21][22].…”

Section: Introductionsupporting

confidence: 53%

Conformational Analysis of Tyrosyl-Lysyl-Threonine Tripeptide Using MM, MD and QM Methods and Its Hyperpolarizability Study

Bıçak

Kecel‐Gunduz

2022

Sakarya University Journal of Science

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Peptides are important structures that offer important opportunities for therapeutic interventions in various diseases. Tyrosyl-Lysyl-Threonine is an important peptide structure that contains the antiviral, antioxidant and anticancer properties of the amino acids in its structure. Examination of the conformational structure, which has great importance on both the ability of the molecule to fulfill its biological functions and electronic properties, is important for molecular studies. In this study, determination of the stable conformations and optimization of the most stable structure of Tyrosyl-Lysyl-Threonine molecule was carried out using molecular mechanical and quantum mechanical methods. With molecular dynamics simulation studies, the changes in conformational structure, RMSD and Rg values in different environments were monitored for 10 ns. Additionally, the hyperpolarizability study of Tyrosyl-Lysyl-Threonine were carried out. As a result of this study, it was aimed to determine the optimized geometry of the tripeptide, its conformational changes and nonlinear optical properties.

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Section: Introductionsupporting

confidence: 53%

Conformational Analysis of Tyrosyl-Lysyl-Threonine Tripeptide Using MM, MD and QM Methods and Its Hyperpolarizability Study

Bıçak

Kecel‐Gunduz

2022

Sakarya University Journal of Science

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“…[14] YKT (tyrosyl-lysyl-threonine) tripeptide having antioxidant [15] and antitumor properties [16][17][18] which are related to the tyrosine and lysine amino acids structure has been associated with prostate cancer etiology of prostate cancer. [19] The toxic activities of YKT peptide and YKT tripeptide loaded chitosan nanoparticles (NPs) on the rat prostate tumor cell line (MAT-LyLu) were obtained using in vitro cytotoxicity tests. [20] In another study, in vitro cytotoxicity studies of YKT tripeptide were performed on MCF-7 and HeLa tumor cell lines.…”

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confidence: 99%

Molecular docking studies of YKT tripeptide and drug delivery system with poly(ε‐caprolactone) nanoparticles

Bıçak

Kecel‐Gunduz

Budama‐Kilinc

et al. 2022

Archiv der Pharmazie

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Tyrosyllysylthreonine (YKT) is a peptide structure that contains three different amino acids in its structure and has anticancer properties. The main purpose of this study is to reveal the structural interactions of the peptide and to increase the efficiency of the peptide with nanoformulation. For these purposes, YKT-loaded poly(ε-caprolactone) (PCL) nanoparticles (NPs) were synthesized using the doubleemission precipitation method and the obtained NPs were characterized with a Zeta Sizer, UV-Vis, Fourier transform infrared-attenuated total reflection spectrometers, scanning electron microscopy, and transmission electron microscopy. The in vitro release profile of the peptide-loaded PCL NPs was determined. In molecular modeling studies, PCL, PCL-polyvinyl alcohol (PVA), and PCL-PVA-YKT systems were simulated in an aqueous medium by molecular dynamics simulations, separately. The information about the interactions between the YKT tripeptide and the epidermal growth factor and androgen, estrogen, and progesterone receptors were obtained with the molecular docking study. Additionally, the ADME profile of YKT was determined as a result of each docking study. In conclusion, tripeptide-based nanodrug development studies of the YKT tripeptide are presented in this study.

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“…Generally, BAP association/entrapment/encapsulation efficiency (EE%) is defined as the % of BAPs added to a system that are successfully entrapped within the vehicles. 68,77,78,81,83…”

Section: Association/entrapment Efficiency (Ee)mentioning

confidence: 99%

“…Nanoparticles formed by CS-TPP systems, where three different tripeptide BAPs (IPP, LKP and YKT) were encapsulated in situ, had EE values ranging between 23 and 65%, depending upon the TPP : CS ratio; 77,81 the same vehicle gave only EE = 7% for encapsulation of ECG. 78 The reasons for these differences with different peptides are not clear, although it should be noted that LKP and YKT will both have a positive charge at neutral pH whereas ECG will have a negative charge.…”

Section: Review Food and Functionmentioning

confidence: 99%

“…With respect to the coacervation route, CS-based NP systems have been prepared from CS 81 plus: sodium tripolyphosphate (TPP), 77 cyclodextrin (CD), 78 and the synthetic methyl acrylate based copolymers termed Eudragit. 85 Under the double emulsion and solvent evaporation routes, CS/ALG 79 and hyaluronic acid-CS 80 NPs have been investigated.…”

Section: Types Of Particulate Vehicles For Encapsulation and Their Pr...mentioning

confidence: 99%

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Encapsulation of short-chain bioactive peptides (BAPs) for gastrointestinal delivery: a review

Atma,

Murray,

Sadeghpour

et al. 2024

Food Funct.

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Peptide based nano-drug candidate for cancer treatment: Preparation, characterization, in vitro and in silico evaluation

Cited by 5 publications

References 70 publications

Conformational Analysis of Tyrosyl-Lysyl-Threonine Tripeptide Using MM, MD and QM Methods and Its Hyperpolarizability Study

Conformational Analysis of Tyrosyl-Lysyl-Threonine Tripeptide Using MM, MD and QM Methods and Its Hyperpolarizability Study

Molecular docking studies of YKT tripeptide and drug delivery system with poly(ε‐caprolactone) nanoparticles

Encapsulation of short-chain bioactive peptides (BAPs) for gastrointestinal delivery: a review

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