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Molecular docking

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Full-Text Articles in Medicine and Health Sciences

Phytochemical Screening, In Vitro And In Silico Studies Of Volatile Compounds From Petroselinum Crispum (Mill) Leaves Grown In Saudi Arabia, Ahmed I. Foudah, Mohammad H. Alqarni, Aftab Alam, Mohammad Ayman Salkini Feb 2022

Phytochemical Screening, In Vitro And In Silico Studies Of Volatile Compounds From Petroselinum Crispum (Mill) Leaves Grown In Saudi Arabia, Ahmed I. Foudah, Mohammad H. Alqarni, Aftab Alam, Mohammad Ayman Salkini

Faculty and Student Publications

The herbal plant Petroselinum crispum (P. crispum) (Mill) is commonly available around the world. In this study, the leaves of the herbal plant P. crispum were collected from the central region of Al-Kharj, Saudi Arabia, to explore their in vitro pharmacological activity. Essential oil from the leaves of P. crispum was isolated using the hydrodistillation method. The composition of P. crispum essential oil (PCEO) was determined using Gas chromatography-mass spectrometry (GC-MS). A total of 67 components were identified, representing approximately 96.02% of the total volatile composi-tion. Myristicin was identified as the principal constituent (41.45%). The in vitro biological activity was …


Discovery Of New 1h-Pyrazolo[3,4-D]Pyrimidine Derivatives As Anticancer Agents Targeting EgfrWt And EgfrT790m, Ahmed A. Gaber, Mohamed Sobhy, Abdallah Turky, Hanan Gaber Abdulwahab Jan 2022

Discovery Of New 1h-Pyrazolo[3,4-D]Pyrimidine Derivatives As Anticancer Agents Targeting EgfrWt And EgfrT790m, Ahmed A. Gaber, Mohamed Sobhy, Abdallah Turky, Hanan Gaber Abdulwahab

Faculty and Student Publications

New 1H-pyrazolo[3,4-d]pyrimidine derivatives were designed and synthesised to act as epidermal growth factor receptor inhibitors (EGFRIs). The synthesised derivatives were assessed for their in vitro anti-proliferative activities against A549 and HCT-116 cancer cells. Compounds 8, 10, 12a, and 12b showed potent anti-proliferative activities. Compound 12b was the most promising member with IC50 values of 8.21 and 19.56 µM against A549 and HCT-116, respectively. Compounds 8, 10, 12a, and 12b were evaluated for their kinase inhibitory activities against wild EGFR (EGFRWT). Compound 12b was the most potent member showing an IC50 value of 0.016 µM. In addition, compound 12b showed noticeable …


Schinus Molle: Anatomy Of Leaves And Stems, Chemical Composition And Insecticidal Activities Of Volatile Oil Against Bed Bug (Cimex Lectularius), Camila D. Machado, Vijayasankar Raman, Junaid U. Rehman, Beatriz H.L.N.S. Maia, Emanuelle K. Meneghetti, Valter P. Almeida, Rosi Z. Silva, Paulo V. Farago, Ikhlas A. Khan, Jane M. Budel Jan 2019

Schinus Molle: Anatomy Of Leaves And Stems, Chemical Composition And Insecticidal Activities Of Volatile Oil Against Bed Bug (Cimex Lectularius), Camila D. Machado, Vijayasankar Raman, Junaid U. Rehman, Beatriz H.L.N.S. Maia, Emanuelle K. Meneghetti, Valter P. Almeida, Rosi Z. Silva, Paulo V. Farago, Ikhlas A. Khan, Jane M. Budel

Faculty and Student Publications

© 2019 by the authors The investigation of the constituents that were isolated from Turnera diffusa (damiana) for their inhibitory activities against recombinant human monoamine oxidases (MAO-A and MAO-B) in vitro identified acacetin 7-methyl ether as a potent selective inhibitor of MAO-B (IC50 = 198 nM). Acacetin 7-methyl ether (also known as 5-hydroxy-40, 7-dimethoxyflavone) is a naturally occurring flavone that is present in many plants and vegetables. Acacetin 7-methyl ether was four-fold less potent as an inhibitor of MAO-B when compared to acacetin (IC50 = 50 nM). However, acacetin 7-methyl ether was >500-fold selective against MAO-B over MAO-A as compared …