Publications

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210. Synthesis of 1,3,5-triazine-indole conjugates as broad-spectrum coronavirus entry inhibitors

Shazia Asghar, Leentje Persoons, Yanicka Smolders, Niels Willems, Dirk Daelemans, Steven De Jonghe, Najim A Al-Masoudi, and Shahid Hameed

submitted, May 2026

Publication year: 2026

209. Exploring of novel pyrazolidine-Schiff base hybrids derived from the drug loratadine as potential dual-acting agents: biological evaluation, in silico, MD simulations and TD-DFT studies

Journal Paper

Fadhel R. Hafedh,1 Zahraa S. Abdullah,2 Hamid H. Mohammed, Ghazwan A. Salman, Abbas A. Mohammed, Yahia Bekkar, Lanez Elhafnaoui, Najim A. Al-Masoudi*

submitted, 2026

Publication year: 2026

208. Design and synthesis of novel benzothiazole–pyrazole–imine derivatives: evaluation of cytotoxicity against Panc-1 cells, antioxidant activity, and in silico properties

Journal Paper

Ahmed A. Waleed, Hamid H. Mohammed, Najim A. Al-Masoudi,* Yahia Bekkar, Lanez Elhafnaoui

submitted, 2026

Publication year: 2026

207. Integrated in silico evaluation of androstenediol derivative (monoxetanol) as a potential anticancer agent: insights from molecular docking, MD simulations, MM/PBSA, ADMET, and DFT analyses

Journal Paper

Yahia Bekkar,1 Lanez Elhafnaoui, Nabeel A. Abdul-Rida, Wasfi A. Al-Masoudi, Ali M. Farhan,4 and Najim A. Al-Masoudi,✉

In Silico Pharmacology, 14, 134 (18 pages) 2026. https://doi.org/10.1007/s40203-026-00626-3

Publication year: 2026

206. Novel piperazin-pyrimidine hybrids as potential anticancer agents against MCF-7 breast carcinoma: synthesis, antimicrobial activity, antioxidant evaluation, and computational insights

Journal Paper

Nabeel A. Abdul-Rida, Noor H. Youssef, Risala H. Allami, Lanez Elhafnaoui, Yahia Bekker, Najim A. Al-Masoudi*

Journal Molecular Structure, 1350, 145287, DOI: 10.1016/J.molstruc.2026.145287.

Publication year: 2026

205. New analogues of the hermonal drug letrozole: preparation, characterization, and study of some optical properties and their anticancer properties

Patent

Raad S. Jihad, Nabeel A. Abdul Reda, Amer M. Juda, Salwa R. Abdulameer, Najim A. Al-Masoudi

Patent, submited, 2025

Publication year: 2025

204. Design, synthesis, and evaluation of novel 4,6-bis(substituted-phenoxy)-1,3,5-triazine analogues with selective activity against pancreatic (Capan-1) and colorectal (HCT-116) carcinomas: anticancer potential and DNA-binding affinity

Journal Paper

Shazia Asghar, Aftab Aziz, Shahid Hameed,* Najim A Al-Masoudi,* Bahjat A. Saeed, and Risala H. Allami

Chemistry & Biodiversity, issue e01362, https://doi.org/10.1002/cbdv.202501362

Publication year: 2025

203. Novel beta-lactam derivatives of diclofenac and sulindac: Synthesis, anticancer, antioxidant activity, in silico studies and molecular dynamics simulation

Journal Paper

N. A. Abdul-Ridha, A. M. Youssef, L. Elhafnaoui, Najim A. Al-Masoudi*, B. A. Saeed, W. A. Al-Masoudi

Chemistry & Biodiversity, issue e01586, https://doi.org/10.1002/cbdv.20251586.

Publication year: 2025

202. Synthesis, anticancer activity, and molecular docking studies of novel substituted Isoxazole derivatives tethered 4-nitroimidazole

Journal Paper

S. O. Saber, N. A. Al-Masoudi, Y. A. Al-Soud, L. A. Qatouseh, B. A. Saeed, R.A. Al-Qawasmeh

ChemistrySelect, volume 10, issue: e00932. doi.org/10.1002/slct.202500932

Publication year: 2025

201. Design, synthesis, docking studies and molecular dynamics simulation of new 1,3,5-triazine derivatives as anticancer agents selectively targeting pancreatic adenocarcinoma (Capan-1)

Journal Paper

S. Asghar, S. Hameed, N. A Al-Masoudi, B. Saeed, A. Shtaiwi

Chemistry & Biodiversity, volume 21, issue 5, e202400112. https://doi.org/10.1002/cbdv.202400112

Publication year: 2024

200. Microwave-assisted synthesis, antiproliferative, antibacterial activities, in silico, computational studies and molecular dynamics simulation of new bis-(aryl-based chalcone) derivatives

Journal Paper

Muntadher M. Al-Kaabi, Hanan A. R. Al-Hazam, Lamiaa Al-Maliki, Najim A. Al-Masoudi,* Bahjat A. Saeed, Amneh Shtaiwi and Yasee. A. Al-Soud

Journal of Molecular Structure, September 2024, article number 139992. https://doi.org/10.1016/j.molstruc.2024.

Publication year: 2024

199. Synthesis, antiproliferative, antioxidant activities, in silico studies, DFT analysis and molecular dynamics simulation of novel 1-(4-chlorobenzhydryl) piperazine derivatives

Najim A. Al-Masoudi, * R. S. Jihad, N. A. Abdul-Rida, A. Al-Shamari, Wasfi A. Al-Masoudi, Amneh Shtaiwi, Yaseen A. Al-Soud

Journal of Molecular Structure, vol. 1293, article no. 137028, 2024 . doi: 10.1016/j.molstruc.2023.137028

Publication year: 2024

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

Journal Paper

Y. A. Al-Soud, S. O. Al-Sawakhnah, R. A. Al-Qawas, N. A. Al-Masoudi, A. H. Al-Ahmed, L. van Geelen, R. Kalscheuer, B. A. Saeed, A. Shtaiwi, H. Stark

Z. Naturforschung C (J. Chem. Sci.) , 79 (3-4) 61 -71, DOI: 10.1515/ZNC-2023-0146

Publication year: 2024

197. Synthesis, anti–HIV and cytotoxicity evaluation of chiral 2,5-disubstituted 1,3,4-thiadiazole derivatives bearing sulphonamide scaffold

Journal Paper

Anum Israr, Shahid Hameed,* and Najim A. Al-Masoudi*

Z. Naturforschung B (J. Chem. Sci.) , 89 - 97 (issue 2-3), https://doi.org/10.1515/znb-2023-0078

Publication year: 2024

196. Synthesis, anticancer, antioxidant activities and in silico studies of novel benzhydrylpiperazine conjugated Δ2-1,2,3-triazoline hydrides

Journal Paper

Najim A. Al-Masoudi,* Raad S. Jihad, Nabeel A. Abdul-Rida, Amer M. J. Al-Shamari, Bahjat Saeed, and Wasfi Al-Masoudi,

ChemistrySelcect, 9 (17), e202400813. DOI: 10.1002/slct.202400813

Publication year: 2024

194. The Preventive impact of theobromine on enamel microhrdness in comparison with sodium fluoride solution (a comparative in-vitro study)

Journal Paper

Maryam Issa, Aseel Haidar M. J. Al Haidar, Najim A. Al-Masoudi

J. Bag. Coll. Denst., accepted, 2023

Publication year: 2024

193. Synthesis, biological activity and fluorescence properties of new biotin conjugated piperazine scaffolds for biological imaging applications

Journal Paper

Y. A. Al-Soud, N. A. Al-Masoudi*

submitted, 2024

Publication year: 2024

192. New tamoxifen analogs for breast cancer therapy: synthesis, aromatase inhibition and in silico studies

Journal Paper

H. Al-Kelabi, D. Al-Duhaidahawi,* N. A. Al-Masoudi,*

Journal of Biomolecular Structures and Dynamics, 41(2), 12798 - 12807 https://doi.org/10.1080/07391102.2023.2175375

Publication year: 2023

190. Synthesis of new ketoprofen-chalcone-amide hybrides as acetylcholinesterase (AChE) inhibitors for possible treatment of Alzheimer disease

Journal Paper

S. K. Al-Mosawi, Abbas F. Abbas, Hanan A. Al-Hazam, Zaizafoone N. Nasif, Bahjat A. Saeed, Najim Al-Masoudi,*

Russ. J. Bioorg. Chem. (Springer), 48(4), 801 - 808. doi: 10.1134/S1068162022040045

Publication year: 2022

189. Synthesis, cytotoxicity and in silico study of some novel benzocoumarin-chalcone bearing aryl ester derivatives and benzocoumarin derived arylamide analogs

Journal Paper

N. A. Abdul-Ridha, A. D. Salmaan, R. Sabah, B. Saeed, N. A. Al-Masoudi*

Z. Naturforschung (J. Chem. Sci.) , 2021, 76(3-4), 201-210. https://doi.org/10.1515/znb-2020-0204

Publication year: 2021

188. Synthesis, aromatase inhibitory, antiproliferative and molecular modeling studies of functionally diverse D-ring pregnenolone pyrazoles

Journal Paper

A. H. Banday, B. A. Saeed, N. A. Al-Masoudi

Anticancer Agents in Medicinal Chemistry, 21 (13), 1671 - 1679, DOI: 10.2174/1871520620999201124213655

Publication year: 2021

187. Synthesis, anticancer activity and molecular docking studies of new 4-nitroimidazole derivatives

Journal Paper

Y. A. Al-Soud, K. A. S. Alhelal, B. Saeed, L. Abu-Qatouseh, H. H. Al-Suod, A. H. Al-Ahmad, N. A. Al-Masoudi, R. A. Al-Qawasmeh

Arkivoc, viii, 296 - 306, DOI: https://doi.org/10.24820/ark.5550190.p011.479

Publication year: 2021

186. A novel pregnene analogs: synthesis, cytotoxicity on prostate cancer of PC-3 and LNCPa-A1 cells and in silico molecular docking study

Journal Paper

Nabeel A. Abdul-Rida, Ali M. Farhan, Najim A. Al-Masoudi,* Bahjat A. Saeed, D. Miller, M.-F. Lin

Molecular Diversity, 25(2), 661 - 671. DOI: 10.1007/s11030-020-10038-w

Publication year: 2021

185. Synthesis, anti-HIV activity, and computational studies of some new steroids, their pyrazoline and oxime analogues

Journal Paper

W. A. Al-Masoudi, N. A. Al-Masoudi,* B. A. Saeed, R. Winter, C. Pannecouque

Russian Journal of Bioorganic Chemistry, 46(5), 822 - 836 (2020)

Publication year: 2020

184. Synthesis of New Steroid ‘Monoxperol’ for Treatment of Prostate Cancer of PC-3 and LNCaP-A1 Cell Lines

Patent

N. A. Abdul-Rida, A. M. Farhan, N. A. Al-Masoudi, W. A. Al-Masoudi, Z. A. Shahab

Patent no. 6295, International classification: C07J17/100 - A61K31/56

Publication year: 2020

183. Molecular docking studies of some antiviral and antimalarial drugs via bindings to 3CL-protease and polymerasee nzymes of the novel Coronavirus (SARS-CoV-2)

Journal Paper

Najim A. Al-Masoudi,* Rita S. Elias, Bahjat Saeed

Biointerface Research in Applied Chemistry 10, 6444 - 6459, https://doi.org/10.33263/BRIAC 105.64446459

Publication year: 2020

182. A click synthesis, molecular docking, cytotoxicity on breast cancer (MDA-MB 231) and anti-HIV activities of new 1,4-disubstituted-1,2,3-triazole thymine derivatives

Journal Paper

Faeza Abdul Kareem Almashal, Hamsa Hussein Al-Hujaj, Ahmed Majeed Jassem & Najim Aboud Al-Masoudi

Russian Journal of Bioorganic Chemistry, 46, 360–370, https://doi.org/10.1134/S1068162020030024

Publication year: 2020

181. Update on Cancer Therapeutics: Chemotherapy, Enzyme and Immunotherapy

Conference Paper

N. A. Al-Masoudi

Publication year: 2019

180. Synthesis, anti-HIV activity, molecular modeling study and QSAR of new designed 2-(2-arylidenehydrazinyl)-4-arylthiazoles

Journal Paper

A. Rauf, M. K. Kashif, B. A. Saeed, N. A. Al-Masoudi , S. Hameed

Journal of Molecular Structure, vol. 1198, article 126866, https://doi.org/10.1016/j.molstruc.2019.07.113

Publication year: 2019

179. A ruthenium complexes of monastrol and its pyrimidine analogues. Synthesis , in vitro anti-HIV and Dyrk1A dual inhibition activities

Journal Paper

W. A. Al-Masoudi, N. A. Al-Masoudi*

Phosphorus, Sulfur, and Silicon and the Related Element, 194 (11) 1020 - 1027.

Publication year: 2019

178. Synthesis, crystal structures, computational studies and antimicrobial activity of new designed bis((5-aryl-1,3,4-oxadiazol-2-yl)thio)alkanes

Journal Paper
M. N. Ahmed, B. Sadiq, N. A. Al-Masoudi, Kh. A. Yasin,S. Hameed, T. Mahmood, Kh Ayob, Muhammad Nawaz Tahir

Journal of Molecular Structure 1115, 403 - 413, https://doi.org/10.1016/j.molstruc.2017.11.011

Publication year: 2018

177. Synthesis of chiral 1,3,4-thiadiazole-based bis-sulfonamide residues and evaluation in vitro their anti-HIV activity and cytotoxicity

Journal Paper
M. Shafique, S. Hameed, M. M. Naseer, N. A. Al-Masoudi

Molecular Diversity 22, 957 - 968

Publication year: 2018

176. Synthesis, X-ray structure, in vitro HIV and kinesin Eg5 inhibition activities of new arene ruthenium complexes of pyrimidine analogues

Journal Paper

W. A. Al-Masoudi, N. A. Al-Masoudi , B. Weibert, R. Winter

J. Coordination Chem. 70, 2061 - 2073.

Publication year: 2017

175. Synthesis, crystal structures, computational studies and antimicrobial activity of new designed bis((5-aryl-1,3,4-oxadiazol-2-yl)thio)alkanes

Journal Paper

M. N. Ahmed, B. Sadiq, N. A. Al-Masoudi, Kh. A. Yasin, S.Hameed, T. Mahmood, Kh. Ayub, and M. N. Tahir

J. Mol. Structure 1155, 403 - 413

Publication year: 2017

174. Synthesis, crystal structure, anti-HIV and antiproliferative activity of new pyrazolylthiazole derivatives

Journal Paper

M. Madni, S. Hameed, M. N. Ahmed, N. A. Al-Masoudi

Med. Chem. Res. 26,2653 - 2665

Publication year: 2017

173. Synthesis and conformational analysis of new arylated diphenylurea derivatives related to Sorafenib drug via Suzuki-Miyaura cross-coupling reaction

Journal Paper

N. A. Al-Masoudi, A. E. Hashim, A. A. S. Al-Waaly, B. Saeed, P. Langer

J. Mol. Structure 1146, 522 - 529

Publication year: 2017

172. Synthesis and biological activity of new pteridines, lumazines and related analogues

Journal Paper

Z. A. A. Abbas,Najwa M. J. Abu-Mejdad, Zeenah W. Atwan, N. A. Al-Masoudi

J. Heterocyclic Chem. 54, 895 - 903

Publication year: 2017

171. New chalcones analogues derived from mefenamic acid. Microwave assisted synthesis, anti-HIV activity and cytotoxicity as antileukemic agents

Journal Paper

H. A. Al-Hazam, Z. Al-Shamkani, N. A. Al-Masoudi, B. A. Saeed, C. Pannecouque

Z. Naturforschung (J. Chem. Sci.) 72b, 249 - 256

Publication year: 2017

170. Anti-HIV screening and molecular docking studies of benzothiazolyl thioureas

Journal Paper

H. Rafique, A. Saeed, F. Perveen, M. N. Zafar, M. Sharif, N. Al-Masoudi

" Latin American Journal of Pharmacy 36(5), 918-923

Publication year: 2017

169. Synthesis, crystal structure, and molecular docking study of new thiazdiazole and thiazole analogues as potential anti-HIV agents

Journal Paper

M. ul-Hassan Khan, S. Hameed, T. Akhtar, N. A. Al-Masoudi, W. A. Al-Masoudi, and P. G. Jones

Med. Chem. Res. 25, 2399 - 2409

Publication year: 2016

168. Synthesis of arylated coumarins by Suzuki-Miyaura cross-coupling reactions and anti-HIV activity

Journal Paper

A. M. Hamdy, N. A. Al-Masoudi, A. Villinger, P. Langer

Bioorg. Med. Chem. 424, 5115 - 5126

Publication year: 2016

167. Synthesis and CYP17 α hydroxylase inhibition activity of 3α- and 3β-ester derivatives of pregnenolone and related ether analogue

Journal Paper

N. A. Al-Masoudi, N. A. Abdul-Rida, R. A. Kadhim, S. Krug, M. Engel, B. A. Saeed

Med. Chem. Res. 25, 310 - 321

Publication year: 2016

166. Synthesis and biological activity of new metronidazole analogues

Journal Paper

N. A. Al-Masoudi, Z. A. A. Abbas

Monatshefte feur Chem. 147, 383-390

Publication year: 2016

165. Synthesis and fluorescence properties of new monastrol analogues conjugated coumarin scaffolds

Journal Paper

N. A. Al-Masoudi, N. J. Al-Salihi, Y. A. Marich

J. Fluorescence 26, 31 - 35

Publication year: 2016

164. In vitro anti-HIV activity of diverse substituted nitrosopyrimidine analogues

Journal Paper

N. A. Al-Masoudi, D. S. Ali, Y. A. March, J. J. Al-Amiri, C. Pannecouque

Chem. & Biolo. Interface 6(1), 63 - 73

Publication year: 2016

163. Exploration of the in vitro anti-HIV activity and cyclin-dependent kinase 2 (CDK2) inhibitory activity of new 6-aryl-pyrimidines and their nitroso analogues

Journal Paper

N. A. Al-Masoudi, B. A. Saeed, D. S. Ali, R. S. Alias, N. N. A. Jaffer, C. Pannecouque

Chem. & Biolo. Interface 6(1), 1 - 13

Publication year: 2016

162. Amino acid derivatives. Part 6. Synthesis, in-vitro antiviral activity and molecular docking study of new N-α-amino acid derivatives conjugated spacer phthalimide backbone

Journal Paper

N. A. Al-Masoudi, E. Abood, Z. T. Al-Maliki, W. A. Al-Masoudi

Med. Chem. Res. 25, 2578 - 2588

Publication year: 2016

161. Synthesis, biological activity and modeling study of some thiopyrimidine derivatives and their platinum(II) and ruthenium(III) metal complexes

Journal Paper

N. A. Al-Masoudi, A. Abbas, M. J. B. Al-Assadi

Z. Naturforschung (J. Chem. Sci.) 70b, 343 - 353

Publication year: 2015

160. Synthesis, antimicrobial activity computational and modeling studies of some new organotellurium compounds containing azo moities

Journal Paper

W. A. Al-Masoudi, R. H. Al-Sadi, R. M. Othman, N. A. Al-Masoudi

European J. Chem. 6(4), 374 - 380

Publication year: 2015

159. Synthesis, antimicrobial activity and molecular modeling study of some new pyrimidine derivatives

Journal Paper

W. A. Al-Masoudi, A. L. Mohammed, W. H. Abass, N. A. Al-Masoudi

European J. Chem. 6(2), 127 - 130

Publication year: 2015

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