Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Khaled Bodoor"'
Molecular recognition of tripeptides containing tryptophan by cucurbit[8]uril: A computational study
Autor:
Osama M. Abuhasan, Musa I. El-Barghouthi, Khaled Bodoor, Abdel Monem M. Rawashdeh, Khaleel I. Assaf
Publikováno v:
Arabian Journal of Chemistry, Vol 16, Iss 7, Pp 104819- (2023)
In this work, molecular dynamics (MD) simulations and time-dependent density functional theory (TD-DFT) calculations were applied to study the formation of binary and ternary complexes between cucurbit[8]uril (CB8) and three tryptophan-containing tri
Externí odkaz:
https://doaj.org/article/63cbdfb746394f0f8d414244b329ce39
Autor:
Musa I. El-Barghouthi, Khaleel I. Assaf, Khaled Bodoor, Dima F. Alhamed, Mohammad A. Alnajjar
Publikováno v:
Arabian Journal of Chemistry, Vol 16, Iss 6, Pp 104779- (2023)
Recently, we have investigated the cucurbit[7]uril (CB7) recognition of the α- and β-anomers of neutral, protonated, and acetylated forms of glucosamine in water. In the present work, we employed molecular dynamics (MD) and thermodynamic integratio
Externí odkaz:
https://doaj.org/article/f09bf6317fe4414183be30cb44f22d17
Autor:
Musa I. El-Barghouthi, Khaled Bodoor, Osama M. Abuhasan, Khaleel I. Assaf, Baker Jawabrah Al Hourani, Abdel Monem M. Rawashdeh
Publikováno v:
ACS Omega, Vol 7, Iss 12, Pp 10729-10737 (2022)
Externí odkaz:
https://doaj.org/article/bbf0afb9e6974a39b315b4a8f95002c4
Autor:
Abdel-Monem M. Rawashdeh, Dima F. Alhamad, Osama M. Abuhasan, Khaled Bodoor, Musa I. El-Barghouthi, Khaleel I. Assaf, Hamzeh M. Abdel-Halim, Baker Jawabrah Al Hourani
Publikováno v:
Journal of Inclusion Phenomena and Macrocyclic Chemistry. 102:159-168
Molecular dynamics simulations were performed in aqueous solution to elucidate an atomistic level picture of complex formation between cucurbit[7]uril (CB7) and three standard aromatic amino acids: tyrosine, tryptophan, and phenylalanine. It was foun
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4dd241aee57c976afa84548c412cdee5
https://doi.org/10.1007/s10847-021-01113-2
https://doi.org/10.1007/s10847-021-01113-2
Autor:
Khaled Bodoor, Musa I. El‐Barghouthi, Osama M. Abuhasan, Abdel Monem M. Rawashdeh, Khaleel I. Assaf, Baker Jawabrah Al Hourani
Publikováno v:
ChemistrySelect. 7
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4a8bf681fea97d5eb2df9faacbb00104
https://doi.org/10.1002/slct.202201988
https://doi.org/10.1002/slct.202201988
Autor:
Lubna Alrawashdeh, Bayan F. Kulaib, Khaleel I. Assaf, Musa I. El-Barghouthi, Khaled Bodoor, Osama M. Abuhasan, Ahmad A. Abdoh
Publikováno v:
Journal of Molecular Liquids. 380:121716
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::79c08ab59d1e7e550a1a1f58214ad223
https://doi.org/10.1016/j.molliq.2023.121716
https://doi.org/10.1016/j.molliq.2023.121716
Autor:
Rasha K. Abuflaha, Khaled Bodoor, Khaleel I. Assaf, Musa I. El-Barghouthi, Asia Alsarhan, Khaldoun A. Al-Sou’od, Raed Ghanem, Fakhri O. Yousef
Publikováno v:
Journal of the Iranian Chemical Society. 18:75-86
The effect of β-cyclodextrin (β-CD) on the spectroscopic properties of mebendazole, MBZ, in aqueous solution was investigated at pH values of 2.0, 4.0, 6.0, 8.0, 10.0, and 12.0, where mebendazole exists as protonated (HMBZ+), neutral (MBZ), or depr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b4b3050b819e5871de23260b0aa4d303
https://doi.org/10.1007/s13738-020-02006-w
https://doi.org/10.1007/s13738-020-02006-w
Autor:
Musa I. El-Barghouthi, Ayman S. Hasan, Wajdy Al-Awaida, Hamzeh J. Al-Ameer, Jatinder Kaur, Kaita J. Hayashibara, Jeremy Fleming, Jessica Waknin, Shigeo Hayashibara, Muna Slewa, Samer M. Hamzeh, Khaled Bodoor, Joshua Daniel McLoud, Frank Wuest, Baker Jawabrah Al Hourani
Publikováno v:
Journal of Molecular Structure. 1263:133141
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0a3913cac6875443c9e0e503dc306ada
https://doi.org/10.1016/j.molstruc.2022.133141
https://doi.org/10.1016/j.molstruc.2022.133141
Publikováno v:
Journal of Molecular Liquids. 358:119178
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::284c23401328cfa411294b8a144130b1
https://doi.org/10.1016/j.molliq.2022.119178
https://doi.org/10.1016/j.molliq.2022.119178
Autor:
Khaleel I. Assaf, Samer K. Albdallah, Lama D. Malhis, Nada A. Al-Sakhen, Musa I. El-Barghouthi, Khaled Bodoor, Akef I. Alhmaideen
Publikováno v:
Journal of Solution Chemistry. 47:1768-1778
Molecular dynamics (MD) simulations were carried out to study the host–guest complexation in aqueous solution between cucurbit[7]uril (CB7) and the neutral and protonated forms of benzimidazole derivatives. Complexation occurs via encapsulation of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::92ba4cc9b1a38d6c34eb814858028d7f
https://doi.org/10.1007/s10953-018-0812-2
https://doi.org/10.1007/s10953-018-0812-2