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19 Results Found

  • Article
  • Open Access
5 Citations
3,765 Views
14 Pages

Cell-penetrating peptides (CPPs) have emerged as versatile tools to increase the intracellular accumulation of different kinds of cargoes. For an efficient cellular uptake and drug delivery, their organization into a distinct and stable secondary str...

(This article belongs to the Special Issue Current State of the Field of Cell-Penetrating Peptides as an Honorific Issue for Professor Ülo Langel)
  • Article
  • Open Access
8 Citations
3,176 Views
13 Pages

GxxxG Motif Stabilize Ion-Channel like Pores through Cα―H···O Interaction in Aβ (1-40)

  • Carola Rando,
  • Giuseppe Grasso,
  • Dibakar Sarkar,
  • Michele Francesco Maria Sciacca and ,
  • Lorena Maria Cucci,
  • Alessia Cosentino,
  • Giuseppe Forte,
  • Martina Pannuzzo,
  • Cristina Satriano and
  • Carmelo La Rosa
  • + 6 authors+ 1 author

22 January 2023

Aβ (1-40) can transfer from the aqueous phase to the bilayer and thus form stable ion-channel-like pores where the protein has alpha-helical conformation. The stability of the pores is due to the presence of the GXXXG motif. It has been reported...

(This article belongs to the Section Molecular Biophysics)
  • Article
  • Open Access
9 Citations
2,833 Views
21 Pages

Specific Substrate Activity of Lotus Root Polyphenol Oxidase: Insights from Gaussian-Accelerated Molecular Dynamics and Markov State Models

  • Minghao Liu,
  • Siyun Zheng,
  • Yijia Tang,
  • Weiwei Han and ,
  • Wannan Li and
  • Tao Li
  • + 1 author+ 0 author

19 September 2024

Polyphenol oxidase (PPO) plays a key role in the enzymatic browning process, and this study employed Gaussian-accelerated molecular dynamics (GaMD) simulations to investigate the catalytic efficiency mechanisms of lotus root PPO with different substr...

(This article belongs to the Collection Feature Papers in Molecular Informatics)
  • Article
  • Open Access
19 Citations
5,132 Views
14 Pages

New Physical Hydrogels Based on Co-Assembling of FMOC–Amino Acids

  • Alexandra Croitoriu,
  • Loredana E. Nita,
  • Aurica P. Chiriac,
  • Alina G. Rusu and
  • Maria Bercea

12 November 2021

In the last years, physical hydrogels have been widely studied due to the characteristics of these structures, respectively the non-covalent interactions and the absence of other necessary components for the cross-linking processes. Low molecular wei...

(This article belongs to the Special Issue Hydrogels for Biomedical Applications: New Knowledge)
  • Article
  • Open Access
13 Citations
5,595 Views
17 Pages

Molecular Diversity of Mytilin-Like Defense Peptides in Mytilidae (Mollusca, Bivalvia)

  • Samuele Greco,
  • Marco Gerdol,
  • Paolo Edomi and
  • Alberto Pallavicini

The CS-αβ architecture is a structural scaffold shared by a high number of small, cationic, cysteine-rich defense peptides, found in nearly all the major branches of the tree of life. Although several CS-αβ peptides involved in...

  • Article
  • Open Access
7 Citations
5,331 Views
32 Pages

In Silico Selection and Evaluation of Pugnins with Antibacterial and Anticancer Activity Using Skin Transcriptome of Treefrog (Boana pugnax)

  • Yamil Liscano,
  • Laura Medina,
  • Jose Oñate-Garzón,
  • Fanny Gúzman and ,
  • Monica Pickholz and
  • Jean Paul Delgado
  • + 1 author+ 0 author

In order to combat bacterial and cancer resistance, we identified peptides (pugnins) with dual antibacterial l–anticancer activity from the Boana pugnax (B. pugnax) skin transcriptome through in silico analysis. Pugnins A and B were selected owing to...

(This article belongs to the Special Issue Pharmaceutical Applications of Bioactive Peptides)
  • Article
  • Open Access
45 Citations
5,913 Views
14 Pages

30 December 2021

The effect of pulsed and oscillating electric fields with different frequencies on the conformational properties of all-α proteins was investigated by molecular dynamics simulations. The root mean square deviation, the root mean square fluctuat...

(This article belongs to the Special Issue Design and Modification of Bio-Based Polymers, Blends and Composites)
  • Article
  • Open Access
9 Citations
9,819 Views
21 Pages

27 February 2014

A protein in the globin-like fold contains six alpha-helices, A, B, E, F, G and H. Among them, the E-to-H helix unit (E, F, G and H helices) forms a compact structure. In this study, we searched similar structures to the E-to-H helix of leghomoglobi...

(This article belongs to the Special Issue Protein Folding and Misfolding)
  • Article
  • Open Access
14 Citations
4,845 Views
11 Pages

A Transmembrane Histidine Kinase Functions as a pH Sensor

  • Ana Bortolotti,
  • Daniela Belén Vazquez,
  • Juan Cruz Almada,
  • Maria Eugenia Inda and ,
  • Salvador Iván Drusin,
  • Juan Manuel Villalba,
  • Diego M. Moreno,
  • Jean Marie Ruysschaert and
  • Larisa Estefania Cybulski
  • + 4 authors+ 0 author

14 August 2020

The two-component system DesK-DesR regulates the synthesis of unsaturated fatty acids in the soil bacteria Bacillus subtilis. This system is activated at low temperature and maintains membrane lipid fluidity upon temperature variations. Here, we foun...

  • Review
  • Open Access
4 Citations
2,262 Views
39 Pages

CHCHD4 Oxidoreductase Activity: A Comprehensive Analysis of the Molecular, Functional, and Structural Properties of Its Redox-Regulated Substrates

  • Nicole Balasco,
  • Nazanine Modjtahedi,
  • Alessandra Monti,
  • Menotti Ruvo and ,
  • Luigi Vitagliano and
  • Nunzianna Doti
  • + 1 author+ 0 author

The human CHCHD4 protein, which is a prototypical family member, carries a coiled–coil–helix–coiled–coil–helix motif that is stabilized by two disulfide bonds. Using its CPC sequence motif, CHCHD4 plays a key role in mit...

(This article belongs to the Special Issue Protein-Ligand Interactions)
  • Article
  • Open Access
3 Citations
4,424 Views
14 Pages

26 November 2019

Escherichia coli (E. coli), one of the most frequently used host for the expression of recombinant proteins, is often affected by the toxic effect of the exogenous proteins that is required to express. Glyceraldehyde 3-phosphate dehydrogenase (GAPDH)...

(This article belongs to the Special Issue Protein Crystallography)
  • Article
  • Open Access
5 Citations
3,776 Views
18 Pages

A Structural Model for the Core Nup358-BicD2 Interface

  • James M. Gibson,
  • Xiaoxin Zhao,
  • M. Yusuf Ali,
  • Sozanne R. Solmaz and
  • Chunyu Wang

26 September 2023

Dynein motors facilitate the majority of minus-end-directed transport events on microtubules. The dynein adaptor Bicaudal D2 (BicD2) recruits the dynein machinery to several cellular cargo for transport, including Nup358, which facilitates a nuclear...

(This article belongs to the Collection Molecular Biology: Feature Papers)
  • Article
  • Open Access
4 Citations
3,209 Views
20 Pages

A Key Role in Catalysis and Enzyme Thermostability of a Conserved Helix H5 Motif of Human Glutathione Transferase A1-1

  • Evangelia G. Chronopoulou,
  • Lana Mutabdzija,
  • Nirmal Poudel,
  • Anastassios C. Papageorgiou and
  • Nikolaos E. Labrou

12 February 2023

Glutathione transferases (GSTs) are promiscuous enzymes whose main function is the detoxification of electrophilic compounds. These enzymes are characterized by structural modularity that underpins their exploitation as dynamic scaffolds for engineer...

(This article belongs to the Section Molecular Biology)
  • Review
  • Open Access
1 Citations
1,427 Views
23 Pages

18 October 2025

Collagen is a family of large, fibrous biomacromolecules common in animals, distinguished by unique molecular, structural, and functional properties. Despite the relatively low complexity of their sequences and the repetitive conformation of the trip...

(This article belongs to the Section Macromolecules)
  • Review
  • Open Access
27 Citations
8,475 Views
14 Pages

14 October 2022

The β-turn is the third defined secondary structure after the α-helix and the β-sheet. The β-turns were described more than 50 years ago and account for more than 20% of protein residues. Nonetheless, they are often overlooked or...

(This article belongs to the Collection Feature Papers in Molecular Informatics)
  • Article
  • Open Access
4 Citations
4,754 Views
22 Pages

Development and Evaluation of a Water-Free In Situ Depot Gel Formulation for Long-Acting and Stable Delivery of Peptide Drug ACTY116

  • Yingxin Xiong,
  • Zhirui Liu,
  • Yuanqiang Wang,
  • Jiawei Wang and ,
  • Xing Zhou and
  • Xiaohui Li
  • + 1 author+ 0 author

In situ depot gel is a type of polymeric long-acting injectable (pLAI) drug delivery system; compared to microsphere technology, its preparation process is simpler and more conducive to industrialization. To ensure the chemical stability of peptide A...

(This article belongs to the Special Issue Recent Advances in Polymeric Delivery Vehicles for Controlled and Sustained Drug Release)
  • Case Report
  • Open Access
3 Citations
2,158 Views
10 Pages

21 December 2023

A pathogenic mutation in presenilin-1 (PSEN1), His214Asn, was found in a male patient with memory decline at the age of 41 in Korea for the first time. The proband patient was associated with a positive family history from his father, paternal aunt,...

(This article belongs to the Special Issue The Role of Genetics in Dementia)
  • Article
  • Open Access

XLOS-Observed P151L MID1 Mutation Resulted in a Gain of E3 Ligase Activity Due to a Difference in Interaction with the Ube2D1 E2 Enzyme

  • Anupreet Kaur,
  • Katharine M. Wright,
  • Juho Karuaho,
  • Maija Lahtela-Kakkonen and
  • Michael A. Massiah
Int. J. Mol. Sci.2026, 27(22), 10213;https://doi.org/10.3390/ijms272210213 
(registering DOI)

14 November 2026

The human midline-1 (MID1) protein is an important E3 ubiquitin ligase that regulates cellular homeostasis by catalyzing the ubiquitination of protein phosphatase 2A (PP2A), alpha4 (α4), and Fu kinase. The E3 ubiquitin ligase activity of MID1 i...

(This article belongs to the Special Issue Mechanistic Insights into the Ubiquitin System’s Role in Cellular Signal Transduction and Homeostasis)
  • Article
  • Open Access
3 Citations
2,658 Views
16 Pages

In Vitro and In Vivo Evaluation of the De Novo Designed Antimicrobial Peptide P6.2 Against a KPC-Producing P. aeruginosa Clinical Isolate

  • Melina M. B. Martinez,
  • Merlina Corleto,
  • Melanie Weschenfeller,
  • Santiago Urrea Montes and ,
  • Camila N. Salomón,
  • Natalia Gonzalez,
  • Matías Garavaglia,
  • Diego Faccone and
  • Paulo C. Maffía
  • + 4 authors+ 0 author

27 February 2025

The antimicrobial peptide P6.2 was previously de novo designed as an alpha helix cationic amphipathic molecule. In previous work, we have shown that this peptide displayed significant antimicrobial activity against both Gram-positive (Staphylococcus ...

(This article belongs to the Special Issue State of the Art and Perspectives in Antimicrobial Peptides)