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Synthesis, pharmacological evaluation, DFT calculation, and theoretical investigation of spirocyclohexane derivatives
Faculty
Science
Year:
2023
Type of Publication:
ZU Hosted
Pages:
Authors:
Mohammed Juma Mohammed Aass
Journal:
Bioorganic Chemistry elsevire
Volume:
Keywords :
Synthesis, pharmacological evaluation, , calculation, , theoretical investigation
Abstract:
Polycyclic structures fused at a central carbon are of great interest due to their appealing conformational features and their structural implications in biological systems. Although progress in the development of synthetic methodologies toward such structures has been impressive, the stereo selective construction of such quaternary stereo centers remains a significant challenge in the total synthesis of natural products. From the computational calculations by Density Functional Theory along with the B3LYP as basis set, It is obvious that the all studied compounds are soft molecules and η varied from 0.069 for compound (10) to 0.087 for compound (15), while the compound (14) is treated as hard molecule, the value of η is 0.102, also the electronic transition within the soft compounds is easy as indicated from the △E, the compound (10) is absolute soft according to the (σ = 14.49 eV), while the compound (14) is treated as hard compounds (σ = 9.804 eV). The newly formed compounds exhibited both anti-inflammatory and antioxidant activities on HRBC homolytic and membrane stabilization and DPPH scavenging percent, respectively.
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Mohammed Juma Mohammed Aass, "synthesis and antimicrobial evaluation of some new pyrimidines and condensed pyrimidines", elsevier, 2017
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Mohammed Juma Mohammed Aass, "SYNTHESIS AND ANTICANCER ACTIVITY OF DIHYDROPYRIMIDINTHIONE, 1,3-THIAZINE AND 2- OXONICOTINONITRILE DERIVATIVES", National academy of chemistry, 2016
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Mohammed Juma Mohammed Aass, "Facile synthesis of some condensed 1,3-thiazines and thiazoles under conventional conditions :antitumor activity", Springer, 2017
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Mohammed Juma Mohammed Aass, "Heteroannelation of Cyclic Ketones: Synthesis, Characterization and Antitumor Evaluation of Some Condensed Azine Derivatives", the National Institute of Chemistry, Slovenia, 2016
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Mohammed Juma Mohammed Aass, "Anti-cancer and kinase inhibitor activity of synthesized heterocyclic substituted thiophene fused with cyclhexan derivatives", Elsevier, 2019
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Department Related Publications
Mohamed Gamal Helmy Mohamed Abdelwahed, "Electronic Properties of Organic Complexes. 2. Reactive Azodyes", Spain, 1993
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Mohamed Gamal Helmy Mohamed Abdelwahed, "Electrical Behaviour of some Azodye Mixed Ligand with Gd3+ and Er3+. b", Peru, 1994
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Atef Mohamed AbdelHamid Ali Hassn, "heterocyclization of thiouracil derivative: synthesis of thiazolopyrimidines, tetrazolopyrimidines and triazolopyrimidines of potential biological activity", elsevier, 2015
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Mohammed Aref Awad Allah Abu Zyd, "Synergistic positive effects of nano barium silicate on the hydration rate and phase composition of alkali-activated slag", Elsevier, 2022
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Ahmed Abdelmoniem Ahmed Amer, "Synthesis and characterization of some calcium aluminate phases from nano-size starting materials", 0366-3175/© 2020 SECV. Published by Elsevier Espana, ˜ S.L.U, 2020
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