BSc degree from Al-Rafidain University College and the MSc degree from Newcastle University
RESEARCH INTERESTS
Organic synthesis, computational chemistry, medicinal chemistry, and Pharmaceutical chemistry
FUTURE PROJECTS
PEA-transferase inhibitors
Applications Invited
Immune-modulation
Applications Invited
6
Scopus Publications
121
Scholar Citations
6
Scholar h-index
4
Scholar i10-index
Scopus Publications
Synthesis and biological activity evaluation of new isatin-gallate hybrids as antioxidant and anticancer agents (in vitro) and in silico study as anticancer agents and coronavirus inhibitors May Mohammed Jawad Al-Mudhafar, Jaafar Suhail Wadi Pharmacia, 2024 Background: The hybrid compounds hold promise for developing novel pharmaceuticals, potentially exhibiting greater activity, mainly against viruses and cancer diseases, than their components. Objective: In this study, researchers explored the potential synergistic effects of hybrid molecules by designing and synthesizing a series of isatin-gallate hybrids, denoted as N’-(5-substituted-2-oxoindolin-3-ylidene)-3,4,5-trihydroxybenzohydrazide (3a–d). Methods: Isatin-gallate hybrids (3a–d) were synthesized by reacting gallic hydrazide with each of the isatin analogs (2a–d). The structures of all produced compounds were described using spectrum methods such as fourier transform infrared (FTIR), 1H-nuclear magnetic resonance spectroscopy (1H-NMR), and physicochemical attributes. The evaluation of the tested hybrids (3a–d) involved assessing their in vitro antioxidant activities using the α, α-diphenyl-β-picrylhydrazyl (DPPH) free radical scavenging method and cytotoxic activities through the MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide] colorimetric assay for measuring cellular growth. Furthermore, in silico analysis was applied to the final hybrids to evaluate their effects as anticancer and anti-coronavirus agents. Conclusion: Among the examined hybrid compounds, 3b demonstrated substantial in vitro antioxidant and cytotoxic activities. In silico analysis revealed slight variations in the anticancer activity of compounds 3a–d, with differing affinities observed across various cancer cell lines. Additionally, these compounds exhibited moderate efficacy in inhibiting coronavirus activity.
Molecular Docking, Synthesis, Characterization, and Preliminary Cytotoxic Evaluation of New 1,3,4-Thiadiazole Derivatives as Αlpha-Estrogen Receptor Modulator Zainab M. Abdulkhaleq, Mohammed Hassan Mohammed, Jaafar Suhail Wadi Journal of Contemporary Medical Sciences, 2022 Objective: This study concluded that these newly synthesized analogs may be represented as an exploitable source of new anticancer agents to fight breast cancer
 Methods: Using The crystal structure of Human α Estrogen Receptor (α-ER) with a 4-HYDROXYTAMOXIFEN(standard) as a co-crystalized ligand was gained from the protein data-bank (PDB code 3ERT) as a result of docking the 1,3,4-thiadiazole derivatives compounds(M1-M3) give good docking scores compared to the standard. Compounds M1-M3 was synthesized by multistep procedures from the reaction of intermediate (benzyloxy)phenyl)-1,3,4-thiadiazole-2(3H)-thione derivatives (D1, D2) and the 4-bromo-1-(cyclic amine1-yl)butan-1-one derivatives intermediate (A1, A2). The chemical structures of the target compounds and their intermediates were confirmed by FT-IR, 1H NMR, and 13C NMR.
 Results: The in-vitro cytotoxicity assay (MTT assay) demonstrated that compounds M1-M3 showed good inhibition ratios in Breast cancer cell line (MCF-7) comparable with drug control Tamoxifen
 Conclusion: From the docking study, it was concluded that piperidine and methyl-piperazine moiety were very successful to bind tightly to alpha estrogen receptors by making numerous interaction modes.
Synthesis and biological activity evaluation of new isatin-gallate hybrids as antioxidant and anticancer agents (in vitro) and in silico study as anticancer agents and … JSW May Mohammed Jawad Al-Mudhafar Pharmacia, 1-11 , 2024 2024 Citations: 6
Investigation of berberine and its derivatives in Sars Cov-2 main protease structure by molecular docking, PROTOX-II and ADMET methods: in machine learning and in silico study E Oner, K Al-Khafaji, MH Mezher, I Demirhan, J Suhail Wadi, ... Journal of Biomolecular Structure and Dynamics 41 (19), 9366-9381 , 2023 2023 Citations: 42
Exploring the interaction between 3-D structure of TLR 9 and prostaglandin analogues JS Wadi, ALD Dunya, M Jabir, MAA Najim, SF Jawad, SS Hamzah, ... Arabian Journal of Chemistry 16 (5), 104692 , 2023 2023 Citations: 6
Synthesis, Anti-Cancer, and Molecular Docking Studies of Alkyne Derivatives Bearing Imidazo Pyridine Moiety AH Hamd, N Al-Lami, JS Wadi 2023
Synthesis, Characterization and Anti-inflammatory Evaluation of New Amino Acids Derivatives of Naproxen AHD Nadeem akram hassan, Muthanna Saadi Farahan, Mostafa F. Tawfeeq, Jaafar ... Research Journal of Pharmacy and Technology , 2023 2023
Recognizing novel drugs against Keap1 in Alzheimer’s disease using machine learning grounded computational studies N Mukerjee, K Al-Khafaji, S Maitra, J Suhail Wadi, P Sachdeva, A Ghosh, ... Frontiers in Molecular Neuroscience 15, 1036552 , 2022 2022 Citations: 35
Synthesis, Anti-Cancer, and Molecular Docking Studies of Alkyne Derivatives Bearing Imidazo Pyridine Moiety JSW Amera H. Hamid, Naeema Al-Lami Journal of Medicinal and Chemical Sciences 6 (6), 1310-1322 , 2022 2022
Mulberroside A could serve as a pan inhibitor for the tyrosine kinase domains of the HER family OS Jaafar Wadi F1000Research , 2022 2022 Citations: 2
Molecular Docking, Synthesis, Characterization, and Preliminary Cytotoxic evaluation of new 1, 3, 4-Thiadiazole Derivatives as Αlpha-Estrogen Receptor Modulator JSW Zainab M. Abdulkhaleq, Mohammed Hassan Mohammed JOCMS 8 (3) , 2022 2022
Studying the cytotoxic activity of newly designed and synthesized HDAC inhibitors derivatives of pentanoyl anilide‐5‐biguanide OM Sagheer, MH Mohammed, JS Wadi, ZO Ibraheem Macromolecular Symposia 401 (1), 2100346 , 2022 2022 Citations: 10
Anticancer activity of new 3-secondary amine derivatives containing fused rings of the imidazopyridine A Zamil Hattab, N Al-Lami, J Suhail Wadi Eurasian Chemical Communications 4 (3), 222-231 , 2022 2022 Citations: 11
Synthesis of gamma biguanides butyric acid analogues as HDAC inhibitors and studying their cytotoxic activity OM Sagheer, MH Mohammed, ZO Ibraheem, JS Wadi, MF Tawfeeq Materials today: Proceedings 47, 5983-5991 , 2021 2021 Citations: 9
MOST CITED SCHOLAR PUBLICATIONS
Investigation of berberine and its derivatives in Sars Cov-2 main protease structure by molecular docking, PROTOX-II and ADMET methods: in machine learning and in silico study E Oner, K Al-Khafaji, MH Mezher, I Demirhan, J Suhail Wadi, ... Journal of Biomolecular Structure and Dynamics 41 (19), 9366-9381 , 2023 2023 Citations: 42
Recognizing novel drugs against Keap1 in Alzheimer’s disease using machine learning grounded computational studies N Mukerjee, K Al-Khafaji, S Maitra, J Suhail Wadi, P Sachdeva, A Ghosh, ... Frontiers in Molecular Neuroscience 15, 1036552 , 2022 2022 Citations: 35
Anticancer activity of new 3-secondary amine derivatives containing fused rings of the imidazopyridine A Zamil Hattab, N Al-Lami, J Suhail Wadi Eurasian Chemical Communications 4 (3), 222-231 , 2022 2022 Citations: 11
Studying the cytotoxic activity of newly designed and synthesized HDAC inhibitors derivatives of pentanoyl anilide‐5‐biguanide OM Sagheer, MH Mohammed, JS Wadi, ZO Ibraheem Macromolecular Symposia 401 (1), 2100346 , 2022 2022 Citations: 10
Synthesis of gamma biguanides butyric acid analogues as HDAC inhibitors and studying their cytotoxic activity OM Sagheer, MH Mohammed, ZO Ibraheem, JS Wadi, MF Tawfeeq Materials today: Proceedings 47, 5983-5991 , 2021 2021 Citations: 9
Synthesis and biological activity evaluation of new isatin-gallate hybrids as antioxidant and anticancer agents (in vitro) and in silico study as anticancer agents and … JSW May Mohammed Jawad Al-Mudhafar Pharmacia, 1-11 , 2024 2024 Citations: 6
Exploring the interaction between 3-D structure of TLR 9 and prostaglandin analogues JS Wadi, ALD Dunya, M Jabir, MAA Najim, SF Jawad, SS Hamzah, ... Arabian Journal of Chemistry 16 (5), 104692 , 2023 2023 Citations: 6
Mulberroside A could serve as a pan inhibitor for the tyrosine kinase domains of the HER family OS Jaafar Wadi F1000Research , 2022 2022 Citations: 2
Synthesis, Anti-Cancer, and Molecular Docking Studies of Alkyne Derivatives Bearing Imidazo Pyridine Moiety AH Hamd, N Al-Lami, JS Wadi 2023
Synthesis, Characterization and Anti-inflammatory Evaluation of New Amino Acids Derivatives of Naproxen AHD Nadeem akram hassan, Muthanna Saadi Farahan, Mostafa F. Tawfeeq, Jaafar ... Research Journal of Pharmacy and Technology , 2023 2023
Synthesis, Anti-Cancer, and Molecular Docking Studies of Alkyne Derivatives Bearing Imidazo Pyridine Moiety JSW Amera H. Hamid, Naeema Al-Lami Journal of Medicinal and Chemical Sciences 6 (6), 1310-1322 , 2022 2022
Molecular Docking, Synthesis, Characterization, and Preliminary Cytotoxic evaluation of new 1, 3, 4-Thiadiazole Derivatives as Αlpha-Estrogen Receptor Modulator JSW Zainab M. Abdulkhaleq, Mohammed Hassan Mohammed JOCMS 8 (3) , 2022 2022
