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Year Number of Results
2010 2
2011 2
2012 9
2013 4
2014 9
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2020 2
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2024 0

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Page 1
X-ray and theoretical investigation of (Z)-3-(adamantan-1-yl)-1-(phenyl or 3-chlorophenyl)-S-(4-bromobenzyl)isothioureas: an exploration involving weak non-covalent interactions, chemotherapeutic activities and QM/MM binding energy.
Al-Omary FAM, Chowdary Gude N, Al-Rasheed LS, Alkahtani HN, Hassan HM, Al-Abdullah ES, El-Emam AA, Percino MJ, Thamotharan S. Al-Omary FAM, et al. Among authors: al abdullah es. J Biomol Struct Dyn. 2022 Apr;40(6):2530-2545. doi: 10.1080/07391102.2020.1840443. Epub 2020 Nov 5. J Biomol Struct Dyn. 2022. PMID: 33150854
FT-IR and FT-Raman spectroscopic signatures, vibrational assignments, NBO, NLO analysis and molecular docking study of 2-{[5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylethanamine.
Almutairi MS, Alanazi AM, Al-Abdullah ES, El-Emam AA, Pathak SK, Srivastava R, Prasad O, Sinha L. Almutairi MS, et al. Among authors: al abdullah es. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Apr 5;140:1-14. doi: 10.1016/j.saa.2014.12.064. Epub 2014 Dec 30. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25579797
Spectroscopic (FT-IR, FT-Raman, and UV-visible) and quantum chemical studies on molecular geometry, Frontier molecular orbitals, NBO, NLO and thermodynamic properties of 1-acetylindole.
Shukla VK, Al-Abdullah ES, El-Emam AA, Sachan AK, Pathak SK, Kumar A, Prasad O, Bishnoi A, Sinha L. Shukla VK, et al. Among authors: al abdullah es. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Dec 10;133:626-38. doi: 10.1016/j.saa.2014.06.043. Epub 2014 Jun 14. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24996206
Theoretical investigations on the molecular structure, vibrational spectra, HOMO-LUMO analyses and NBO study of 1-[(Cyclopropylmethoxy)methyl]-5-ethyl-6-(4-methylbenzyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione.
Al-Abdullah ES, Mary YS, Panicker CY, El-Brollosy NR, El-Emam AA, Van Alsenoy C, Al-Saadi AA. Al-Abdullah ES, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Dec 10;133:639-50. doi: 10.1016/j.saa.2014.06.042. Epub 2014 Jun 14. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24992922
Vibrational spectroscopic studies (FT-IR, FT-Raman) and quantum chemical calculations on 5-(Adamantan-1-yl)-3-[(4-fluoroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, a potential chemotherapeutic agent.
Al-Abdullah ES, Sebastian SS, Al-Wabli RI, El-Emam AA, Panicker CY, Van Alsenoy C. Al-Abdullah ES, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Dec 10;133:605-18. doi: 10.1016/j.saa.2014.06.035. Epub 2014 Jun 14. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24992920
30 results