Effects of a plant cyclotide on conformational dynamics and destabilization of ß-amyloid fibrils through molecular dynamics simulations.

Kalmankar, Neha V; Gehi, Bhuvaneshwari Rajendrakumar; Sowdhamini, Ramanathan

Kalmankar, Neha V; Gehi, Bhuvaneshwari Rajendrakumar; Sowdhamini, Ramanathan.

Affiliation

Kalmankar NV; National Centre for Biological Sciences (TIFR), GKVK Campus, Bengaluru, Karnataka, India.
Gehi BR; Molecular Biophysics Unit, Indian Institute of Science, Bengaluru, Karnataka, India.
Sowdhamini R; National Centre for Biological Sciences (TIFR), GKVK Campus, Bengaluru, Karnataka, India.

Front Mol Biosci ; 9: 986704, 2022.

Article in En | MEDLINE | ID: mdl-36250019

Key words

conformational dynamics; cyclic peptides; cyclotides; disulfide-rich peptides; molecular dynamics (MD) simulation; peptide inhibitors; protein -peptide docking; ß-amyloid (Aß) peptide

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Full text: 1 Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: Front Mol Biosci Year: 2022 Type: Article Affiliation country: India

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Full text: 1 Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: Front Mol Biosci Year: 2022 Type: Article Affiliation country: India