Zagazig University Digital Repository
Home
Thesis & Publications
All Contents
Publications
Thesis
Graduation Projects
Research Area
Research Area Reports
Search by Research Area
Universities Thesis
ACADEMIC Links
ACADEMIC RESEARCH
Zagazig University Authors
Africa Research Statistics
Google Scholar
Research Gate
Researcher ID
CrossRef
Synthesis, pharmacological evaluation, DFT calculation, and theoretical investigation of spirocyclohexane derivatives
Faculty
Science
Year:
2023
Type of Publication:
ZU Hosted
Pages:
Authors:
weSam Saber Mohammed Shehab
Staff Zu Site
Abstract In Staff Site
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.
Author Related Publications
weSam Saber Mohammed Shehab, "Novel saccharin analogs as promising antibacterial and anticancer agents: synthesis, DFT, POM analysis, molecular docking, molecular dynamic simulations, and cell-based assay", Frontiers, 2022
More
weSam Saber Mohammed Shehab, "Synthesis,Characterization and Evaluation of the Anticancer and Antimicrobial Activities of Some Novel Benzazole and Benzazine Derivatives", Council for Innovative Research, 2013
More
weSam Saber Mohammed Shehab, "Synthesis and Electrochemical Behavior of Some New Pyridazine Derivatives", International Journal of Basic and Applied Sciences, 1 (3) (2012) 202-218, 2012
More
weSam Saber Mohammed Shehab, "Synthesis of some new S‐glycosyl pyrimidine and condensed pyrimidine derivatives", European Journal of Chemistry, 2012
More
weSam Saber Mohammed Shehab, "Nanoparticles of manganese oxides as efficient catalyst for the synthesis of pyrano[2,3‑d]pyrimidine derivatives and their complexes as potent protease inhibitors", Journal of the Iranian Chemical Society, 2018
More
Department Related Publications
Ragaa Sheikh Shuhaib, "Sensitive Spectrophotometric Assay of Two Phosphodiesterase Type 5-Inhibitors in Pure and Dosage forms Using Potassium Permanganate", Chemical Science Transactions, 2016
More
Sedik Attia Sedik Mohammed, "Preparation and Characterization of a Surface Modified Amberlite IRA 402 Resin by Nano Iron Oxide and its Application for Uranium Separation", IJSBAR, 2016
More
Hamdy Aldedamony , "The Behavior of Different Cement Pastes in Various Sulphate Solutions”", Indian. J. Eng. Mater. Sci, 1994
More
Ragaa Sheikh Shuhaib, "determining ground water protection zones for the quaternary aquifer of northeastern Nile Delta using GIS-based vulnerability mapping", Springer, 2012
More
Atef Mohammed AbdelHamid Amer, "The impact of stevioside supplementation on glycemic control and lipid profile in patients with type 2 diabetes: a controlled clinical trial", t he egyptian journal of internal me, 2019
More
جامعة المنصورة
جامعة الاسكندرية
جامعة القاهرة
جامعة سوهاج
جامعة الفيوم
جامعة بنها
جامعة دمياط
جامعة بورسعيد
جامعة حلوان
جامعة السويس
شراقوة
جامعة المنيا
جامعة دمنهور
جامعة المنوفية
جامعة أسوان
جامعة جنوب الوادى
جامعة قناة السويس
جامعة عين شمس
جامعة أسيوط
جامعة كفر الشيخ
جامعة السادات
جامعة طنطا
جامعة بنى سويف