Shtaiwi A - Search Results

1

Novel 4-nitroimidazole analogues: synthesis, in vitro biological evaluation, in silico studies, and molecular dynamics simulation.

Al-Soud YA, Al-Sawakhnah SO, Al-Qawasmeh RA, Al-Masoudi NA, Al-Ahmad AH, Al-Maliki L, van Geelen L, Kalscheuer R, Saeed BA, Shtaiwi A, Stark H. Al-Soud YA, et al. Among authors: shtaiwi a. Z Naturforsch C J Biosci. 2024 Apr 8;79(3-4):61-71. doi: 10.1515/znc-2023-0146. Print 2024 Mar 25. Z Naturforsch C J Biosci. 2024. PMID: 38578162

2

Nitroimidazoles Part 10. Synthesis, crystal structure, molecular docking, and anticancer evaluation of 4-nitroimidazole derivatives combined with piperazine moiety.

Al-Soud YA, Saber SOW, Shtaiwi A, Alsawakhneh SO, Alhelal KAS, Salman QFA, Abu-Qatouseh L, Khanfar MA, Al-Qawasmeh RA. Al-Soud YA, et al. Among authors: shtaiwi a. Z Naturforsch C J Biosci. 2022 May 20;78(3-4):93-103. doi: 10.1515/znc-2022-0023. Print 2023 Mar 28. Z Naturforsch C J Biosci. 2022. PMID: 35589618

3

Novel hybrid motifs of 4-nitroimidazole-piperazinyl tagged 1,2,3-triazoles: Synthesis, crystal structure, anticancer evaluations, and molecular docking study.

Saber SW, Al-Qawasmeh RA, Abu-Qatouseh L, Shtaiwi A, Khanfar MA, Al-Soud YA. Saber SW, et al. Among authors: shtaiwi a. Heliyon. 2023 Aug 24;9(9):e19327. doi: 10.1016/j.heliyon.2023.e19327. eCollection 2023 Sep. Heliyon. 2023. PMID: 37681149 Free PMC article.

4

Discovery of novel potent drugs for influenza by inhibiting the vital function of neuraminidase via fragment-based drug design (FBDD) and molecular dynamics simulation strategies.

Bourougaa L, Ouassaf M, Shtaiwi A. Bourougaa L, et al. Among authors: shtaiwi a. J Biomol Struct Dyn. 2024 Nov;42(18):9294-9308. doi: 10.1080/07391102.2023.2251065. Epub 2023 Aug 28. J Biomol Struct Dyn. 2024. PMID: 37640004

5

Thiadiazine thione derivatives as anti-leishmanial agents: synthesis, biological evaluation, structure activity relationship, ADMET, molecular docking and molecular dynamics simulation studies.

Tamanna, Fu C, Qadir M, Shah MIA, Shtaiwi A, Khan R, Khan SU, Htar TT, Zada A, Lodhi MA, Ateeq M, Ali A, Naeem M, Ibrahim M, Khan SW. Tamanna, et al. Among authors: shtaiwi a. J Biomol Struct Dyn. 2024 Sep;42(15):7758-7772. doi: 10.1080/07391102.2023.2245480. Epub 2023 Aug 7. J Biomol Struct Dyn. 2024. PMID: 37551015

6

Insights into the inhibitory potential of novel hydrazinyl thiazole-linked indenoquinoxaline against alpha-amylase: a comprehensive QSAR, pharmacokinetic, and molecular modeling study.

Abchir O, Yamari I, Shtaiwi AM, Nour H, Kouali ME, Talbi M, Errougui A, Chtita S. Abchir O, et al. Among authors: shtaiwi am. J Biomol Struct Dyn. 2024 Feb 2:1-18. doi: 10.1080/07391102.2024.2310778. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 38305802

7

Thiadiazine-thiones as inhibitors of leishmania pteridine reductase (PTR1) target: investigations and in silico approach.

Shtaiwi A. Shtaiwi A. J Biomol Struct Dyn. 2024 Oct;42(16):8588-8597. doi: 10.1080/07391102.2023.2246589. Epub 2023 Aug 14. J Biomol Struct Dyn. 2024. PMID: 37578348

8

A comprehensive computational study to explore promising natural bioactive compounds targeting glycosyltransferase MurG in Escherichia coli for potential drug development.

Shtaiwi A, Khan SU, Khedraoui M, Alaraj M, Samadi A, Chtita S. Shtaiwi A, et al. Sci Rep. 2024 Mar 26;14(1):7098. doi: 10.1038/s41598-024-57702-x. Sci Rep. 2024. PMID: 38532068 Free PMC article.

9

Computational investigations of the binding mechanism of novel benzophenone imine inhibitors for the treatment of breast cancer.

Shtaiwi A, Adnan R, Khairuddean M, Khan SU. Shtaiwi A, et al. RSC Adv. 2019 Nov 1;9(61):35401-35416. doi: 10.1039/c9ra04759j. eCollection 2019 Oct 31. RSC Adv. 2019. PMID: 35541022 Free PMC article.

10

Substituent effect on the chemical and biological properties of diisatin dihydrazone Schiff bases: DFT and docking studies.

Adam MSS, Al-Ateya ZHA, Makhlouf MM, Abdel-Rahman OS, Shtaiwi A, Khalil A. Adam MSS, et al. Among authors: shtaiwi a. Comput Biol Chem. 2024 Dec;113:108190. doi: 10.1016/j.compbiolchem.2024.108190. Epub 2024 Aug 31. Comput Biol Chem. 2024. PMID: 39232258

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