Intramolecular hydrogen bonding in cyclic peptides and depsipeptides
Başlık çevirisi mevcut değil.
- Tez No: 682650
- Danışmanlar: DR. LASZLO FABİAN
- Tez Türü: Yüksek Lisans
- Konular: Biyokimya, Biyofizik, Fizik ve Fizik Mühendisliği, Biochemistry, Biophysics, Physics and Physics Engineering
- Anahtar Kelimeler: Belirtilmemiş.
- Yıl: 2020
- Dil: İngilizce
- Üniversite: Unıversıty Of East Anglıa
- Enstitü: Yurtdışı Enstitü
- Ana Bilim Dalı: Belirtilmemiş.
- Bilim Dalı: Belirtilmemiş.
- Sayfa Sayısı: Belirtilmemiş.
Özet
Most of the cyclic peptides (CPs) and depsipeptides (CDPs) have low oral bioavailability. Intramolecular hydrogen bonds (IMHBs) in CPs/CDPs can increase their bioavailability. By investigating crystal structures in Cambridge Structural Database (CSD), 143 CPs and 19 CDPs containing IMHBs were identified. CPs with odd-numbered amino acids (aa) contain IMHBs at a higher ratio. Examination of aa showed that existence of alanine was positively affecting and existence of glycine was negatively affecting the IMHB formation. There are 326 H-bonded pseudo-rings in CPs, 58% of which are 10-membered rings (C10) and 17% of which are 14-membered rings (C14). Observation of C14 was unexpected. Among all peptides deposited to CSD, C10 are the most likely rings to be observed, with 43% frequency. Ramachandran plots of φ/ψ torsions in different pseudo-rings revealed the conformational preferences of these rings. Molecular dynamic simulations were run on a selected CP with two different force fields (RSFF2 and ff19SB) for 50 ns. RSFF2 was found to better reproduce the crystal structure conformation of CP. It was mostly stable during the simulation but partially lost its rigidity after some time.
Özet (Çeviri)
Özet çevirisi mevcut değil.
Benzer Tezler
- Intramolecular hydrogen bonding incyclic peptides and depsipeptides
Başlık çevirisi yok
ÖMER MİRAÇ APAYDIN
- Dört yeni makrosiklik vic - dioksimin sentezi ve komplekslerinin incelenmesi
Başlık çevirisi yok
KEMAL KARADENİZ
- Heterohalkalı tiyazolo tiyazol bileşiklerininsentezi ve spektroskopik özellikleri
Synthesis and spectroscopic properties of heterocyclic thiazolo thiazole compounds
HİKMET BURCU GÜNESER
- Quantum aspects of molecular correlations in biological catalysis
Biyolojik katalizde moleküler ilintilerin kuantum doğası
ONUR PUSULUK
- 1,3-difenil-4,5-bis(hidroksiimino)-imidazolidin ve Ni(II), Cu(II), Pd(II), UO2(VI) komplekslerinin sentezi
Başlık çevirisi yok
VEFA AHSEN
