Vibrational spectroscopic characterization and structural investigations of Cepharanthine, a natural alkaloid
Cepharanthine, a natural alkaloid obtained from the Stephania cepharantha Hayata plant,
that has antitumor, anti-inflammatory, antioxidative, antiparasitic, and antiviral properties …
that has antitumor, anti-inflammatory, antioxidative, antiparasitic, and antiviral properties …
Rotamer dynamics: analysis of rotamers in molecular dynamics simulations of proteins
Given by χ torsional angles, rotamers describe the side-chain conformations of amino acid
residues in a protein based on the rotational isomers (hence the word rotamer). Constructed …
residues in a protein based on the rotational isomers (hence the word rotamer). Constructed …
The Genus Cladosporium: A Prospective Producer of Natural Products
Y Li, Y Wang, H Wang, T Shi, B Wang - International Journal of Molecular …, 2024 - mdpi.com
Cladosporium, a genus of ascomycete fungi in the Dematiaceae family, is primarily
recognized as a widespread environmental saprotrophic fungus or plant endophyte. Further …
recognized as a widespread environmental saprotrophic fungus or plant endophyte. Further …
Structural and vibrational investigations and molecular docking studies of a vinca alkoloid, vinorelbine
Vinorelbine, a vinca alkaloid, is an antimitotic drug that inhibits polymerisation process of
tubulins to microtubules, and is widely used in cancer chemotherapy. Due to the importance …
tubulins to microtubules, and is widely used in cancer chemotherapy. Due to the importance …
Shedding light into the biological activity of aminopterin, via molecular structural, docking, and molecular dynamics analyses
In this study, the structural and anticancer properties of aminopterin, as well as its antiviral
characteristics, were elucidated. The preferred conformations of the title molecule were …
characteristics, were elucidated. The preferred conformations of the title molecule were …
Structural and spectral analysis of anticancer active cyclo (Ala–His) dipeptide
The theoretically possible most stable conformation of the cyclic dipeptide, which has a
significant anticancer activity, was examined by conformational analysis method and then by …
significant anticancer activity, was examined by conformational analysis method and then by …
Vibrational and structural properties of L-Alanyl-L-Phenylalanine dipeptide by Raman spectroscopy, infrared and DFT calculations
A study of vibrational and structural properties of l-Alanyl-l-Phenylalanine hydrophobic
dipeptide (molecular formula C 12 H 16 N 2 O 3) is reported. The l-alanyl-l-phenylalanine is …
dipeptide (molecular formula C 12 H 16 N 2 O 3) is reported. The l-alanyl-l-phenylalanine is …
High-pressure studies on l, l-dileucine crystals by Raman spectroscopy and synchrotron X-ray diffraction combined with DFT calculations
The vibrational properties of the dipeptide l-leucyl-l-leucine hydrate were investigated
through Raman and infrared spectroscopy. With the aid of first principle calculations using …
through Raman and infrared spectroscopy. With the aid of first principle calculations using …
The Structural Characterisation and DFT-Aided Interpretation of Vibrational Spectra for Cyclo(l-Cys-d-Cys) Cyclic Dipeptide in a Solid State
Cyclic dipeptides with two intramolecular peptide bonds forming a six-membered 2, 5-
diketopiperazine ring are gaining significant attention due to their biological and chemical …
diketopiperazine ring are gaining significant attention due to their biological and chemical …
New route for synthesis of 2-(2, 2-dimethoxyethyl)-1, 2, 3, 4, 5, 6-hexahydro-1, 5-methanoazocino [4, 3-b] indole and DFT investigation
N Uludağ, G Serdaroğlu - Heliyon, 2020 - cell.com
Abstract Development of efficient sequences for the synthesis of the title compound (2-(2, 2-
dimethoxyethyl)-1, 2, 3, 4, 5, 6-hexahydro-1, 5-methanoazocino [4, 3-b] indole)(7) was …
dimethoxyethyl)-1, 2, 3, 4, 5, 6-hexahydro-1, 5-methanoazocino [4, 3-b] indole)(7) was …