Physiology, Endocrinology, General Biochemistry, Genetics and Molecular Biology, Immunology
4
Scopus Publications
13
Scholar Citations
2
Scholar h-index
Scopus Publications
STRUCTURE-BASED VIRTUAL SCREENING OF BIOACTIVE NATURAL COMPOUNDS TARGETING SARS-COV-2 MAIN PROTEASE: A MOLECULAR DOCKING STUDY , Ali M. Jaafar Abdulsahib, Athir Kadhim Mohammed, Zahraa Adel, Fakhri Alajeeli, Hamza Fadhel Hamzah, Safa Jasim Tuama, H.A. Zainab, Amran Mezher Lawas, , , , , , , and Journal of Experimental Zoology India, 2026 The global outbreak of SARS-CoV-2 has created an urgent need for novel antiviral agents, especially those targeting critical viral enzymes. The SARS-CoV-2 main protease (Mpro), essential for viral polyprotein processing and replication, is a validated target for antiviral drug development. This study employed a structure-based virtual screening approach to assess four bioactive natural compounds—Baicalin, Curcumin, Berberine, and Eckol—for their inhibitory potential against Mpro. Molecular docking was conducted using Auto Dock Vina and ligand–protein interactions were analysed through 2D and 3D visualization tools to evaluate binding affinity and interaction profiles. Among the tested compounds, Baicalin (–8.1 kcal/mol) and Eckol (–7.2 kcal/mol) exhibited higher binding affinities, forming stable hydrogen bonds and hydrophobic contacts with key catalytic residues Glu166, His41 and Cys145. Curcumin (–5.1 kcal/mol) and Berberine (–6.1 kcal/mol) showed moderate affinities but maintained notable stabilizing interactions within the active site. The superior performance of baicalin and eckol suggests a strong structural complementarity with Mpro. Despite lower scores, curcumin and berberine still interact with crucial residues, implying partial inhibitory potential and relevance for further exploration. This in silico screening highlights baicalin and eckol as promising natural inhibitors of SARS-CoV-2 M pro. These findings support their advancement toward molecular dynamics simulations and experimental validation, reinforcing the therapeutic value of phytochemicals in COVID-19 drug discovery.
Vitamin D Levels Among Iraqi Population: Regional and Seasonal Variations Sameer Mahmood, Zaid Younus, Athir Mohammed, Sama Al-Shaheeb Clinical Laboratory, 2025 BACKGROUND: Fluctuations in vitamin D (VITD) impact the health status of individuals across the globe. The present study aimed to assess the seasonal and regional variations in VITD status among the Iraqi population and highlight the extent of these differences across age and gender groups. METHODS: A total of 5,014 participants attending a single-consultation outpatient clinic for routine blood tests from three different regions of Iraq [the North (N, 825), the Middle (N, 3277), and the South (N, 912) regions] were recruited. The participants from the Middle region were enrolled throughout the seasons of the year (January through December 2023), whereas participants from the North and South regions were enrolled only during the winter season. RESULTS: The study revealed a wide range level of VITD spanning from 3 - 110 ng/mL (mean 26.5 ± 15.7 ng/mL). Deficiency (levels < 20 ng/mL) was found in 39% of participants, including 11% with severe deficiency (< 10 ng/mL). Females had significantly higher VITD levels than males. Seasonal analysis revealed significantly lower VITD levels during the winter season (24.8 ± 14.3 ng/mL) as compared to the spring and summer (28.3 ± 14.6 and 28.5 ± 15.5 ng/mL, respectively), while significantly higher levels were observed in autumn (31.3 ± 16.4 ng/mL). Regionally, lower VITD levels were recorded in the North of Iraq (21.7 ± 17 ng/mL) compared to the Middle and Southern regions (24.8 ± 14.3 and 25.1 ± 14.2 ng/mL, respectively). VITD levels also varied by age, with the youngest age groups (< 15, and 16 - 30 years) consistently exhibiting the highest deficiency rates throughout the year and across all regions, with the highest rates observed in winter and the Northern region. CONCLUSIONS: Deficient VITD status in Iraq was found in almost one-third of the population. Deficiency levels were high in the young-age groups in all the regions and seasons. Clear regional and seasonal variations in the 25(OH)D level were spotted among the Iraqi population.
Evaluation of Interlukein-6 and Vitamin D in Patients with COVID-19 Kadhim Mohammed Athir, Al-Shaheeb Sama, Faridh Fawzi Omar, Abdulkareem Almashhadani Haider, M. Kadhim Mustafa Research Journal of Biotechnology, 2022 COVID-19 is a unique viral infectious illness that causes a variety of symptoms and health hazards, particularly to the respiratory system and has been declared a worldwide pandemic. The disease is characterized by a cytokine release in severe conditions. Interleukin-6 (IL-6), a proinflammatory cytokine, mediates an important immunomodulatory process. Also, vitamin D was identified to have a role in the innate immunity of individuals. Our study was designed to find the role of IL-6 and vitamin D in COVID-19 patients, as well as, to see whether there is a link between vitamin D deficiency and cytokine syndrome development. The study included 90 COVID-19 patients and 30 control people from Baghdad, Iraq. The age of the participants was non-significantly (P>0.05) different between COVID-19 and control, so was the body mass index. IL-6 level was significantly (P<0.05) higher in COVID-19 patients compared to control, while vitamin D level was significantly (P<0.05) reduced in COVID-19 patients. Nevertheless, the results have shown no significant correlation between vitamin D and IL-6 in the serum of COVID-19 patients. Furthermore, both IL-6 and vitamin D exhibited an excellent sensitivity in the diagnosis of COVID-19.
Assessment of lipid profile with HbA1c in type 2 diabetic Iraqi patients Sama Al-Shaheeb, Husham Kamil Hashim, Athir Kadhim Mohammed, Haider Abdulkareem Almashhadani, Ali Al Fandi Bionatura, 2022 Insulin-induced hyperglycemia is the hallmark of diabetes mellitus (DM), including various metabolic disorders. Diabetic people are more likely to develop dyslipidemia, hypertension, and obesity. Type 2 diabetes (T2DM), the most common illness, is generally asymptomatic in its early stages and can go misdiagnosed for years. Diabetes screening may be beneficial in some cases since early identification and treatment can lessen the burden of diabetes and its consequences. This study aimed to find the relationship between Glycated hemoglobin (HbA1c) and lipid profile components in T2DM patients. This descriptive-analytical and cross-sectional study was performed on the control group and T2DM patients in Medical City in Baghdad between March and June 2021. A total of 90 patients with T2DM and 45 healthy control were included in this study. In the control group, healthy volunteer individuals participated. For all subjects, HbA1c, fasting blood sugar/FBS, and lipid profile (Total Cholesterol/TC, Triglyceride/TG, High-density Lipoprotein/HDL, Low-density Lipoprotein/LDL, and Very Low-density Lipoprotein/VLDL) were assessed. Among T2DM patients 62.22% (n= 56) were male and 37.78% (n= 34) were female. Mean ± SD levels of HbA1c, TC, TG, LDL, VLDL, HDL, and FBS were 7.33±0.56 % (168.21±9.23, 146.10±9.64, 137.23±8.32, 41.05±5.86, 43.85±6.17, and 208.81±52.1) mg/dl respectively in the T2DM group. In the control group, the Mean ± SD results of the same parameters were 4.91±0.27%, (171.20±3.57, 116.60±8.25, 105.05±2.11, 41.83±4.92, 44.04±5.54, 96.20±7.8) mg/dl respectively. Results demonstrated statistically significant differences between T2DM patients and control groups in HbA1c (p equal to 0.0025), TG (p equal to 0.015), LDL (p=0.0029), and FBS (p=0.02). Pearson correlation analysis of HbA1c with other variables showed a significant positive correlation with serum TC, TG, LDL, and FBS (r=0.573, P<0.01; r=0.655, P <0.001; r=0.498, P<0.05; r=0.691, P<0.001; respectively). While the data showed a negative connection between HbA1c and HDL (r= - 0.562, P<0.01) The findings of this study reveal that diabetic people do not have a satisfactory HbA1c level. Furthermore, HbA1c shows a significant correlation with TC, TG, LDL, and VLDL, whereas it has a significant negative correlation with HDL. The study showed that HbA1c might be useful for predicting dyslipidemia in T2DM patients. Keywords: T2DM, Lipid profile, HbA1c.
RECENT SCHOLAR PUBLICATIONS
Vitamin D Levels Among Iraqi Population: Regional and Seasonal Variations. SM Mahmood, ZM Younus, AK Mohammed, S Al-Shaheeb Clinical Laboratory 71 (12) , 2025 2025
IRISIN HAS EVIDENT ASSOCIATION WITH INSULIN, HOMA-IR, AND GLUCAGON IN OBESE DIABETIC AND NON-DIABETIC IRAQI WOMEN KM ATHIR, AKK FARIS, HMS SAMA OBAT: JURNAL RISET ILMU FARMASI DAN KESEHATAN Учредители: Asosiasi Riset … , 2024 2024
Evaluation of Interlukein-6 and Vitamin D in Patients with COVID-19 AK Mohammed, S Al-Shaheeb, OF Fawzi, HA Almashhadani, MM Kadhim Research Journal of Biotechnology 17 (10), 50-53 , 2022 2022 Citations: 3
Assessment of lipid profile with HbA1c in type 2 diabetic Iraqi patients AAF Sama Al-Shaheeb, Husham Kamil Hashim, Athir Kadhim Mohammed, Haider ... Bionatura 7 (3), 29-33 , 2022 2022 Citations: 9
Effect of Covid-19 on liver enzymes HH Hussein, AK Mohammed, MAW Alwardi Annals of the Romanian Society for Cell Biology 25 (4), 5016-5033 , 2021 2021
Betatrophin is correlated with glucagon and insulin release rather than insulin resistance marker in type 2 diabetes mellitus Iraqi women AK Mohammed, FAK Khazaal International Journal of Research in Medical Sciences 4 (10), 4264-4271 , 2016 2016 Citations: 1
Study the Correlation of the Leptin to Adiponectin Ratio with Estimation of Insulin Resistance in Obese and Non Obese Individuals NKA Hussaini, SS Mutlak, AK Mohammed Journal of Natural Sciences Research 5 (6), 55 - 60 , 2015 2015
MOST CITED SCHOLAR PUBLICATIONS
Assessment of lipid profile with HbA1c in type 2 diabetic Iraqi patients AAF Sama Al-Shaheeb, Husham Kamil Hashim, Athir Kadhim Mohammed, Haider ... Bionatura 7 (3), 29-33 , 2022 2022 Citations: 9
Evaluation of Interlukein-6 and Vitamin D in Patients with COVID-19 AK Mohammed, S Al-Shaheeb, OF Fawzi, HA Almashhadani, MM Kadhim Research Journal of Biotechnology 17 (10), 50-53 , 2022 2022 Citations: 3
Betatrophin is correlated with glucagon and insulin release rather than insulin resistance marker in type 2 diabetes mellitus Iraqi women AK Mohammed, FAK Khazaal International Journal of Research in Medical Sciences 4 (10), 4264-4271 , 2016 2016 Citations: 1
Vitamin D Levels Among Iraqi Population: Regional and Seasonal Variations. SM Mahmood, ZM Younus, AK Mohammed, S Al-Shaheeb Clinical Laboratory 71 (12) , 2025 2025
IRISIN HAS EVIDENT ASSOCIATION WITH INSULIN, HOMA-IR, AND GLUCAGON IN OBESE DIABETIC AND NON-DIABETIC IRAQI WOMEN KM ATHIR, AKK FARIS, HMS SAMA OBAT: JURNAL RISET ILMU FARMASI DAN KESEHATAN Учредители: Asosiasi Riset … , 2024 2024
Effect of Covid-19 on liver enzymes HH Hussein, AK Mohammed, MAW Alwardi Annals of the Romanian Society for Cell Biology 25 (4), 5016-5033 , 2021 2021
Study the Correlation of the Leptin to Adiponectin Ratio with Estimation of Insulin Resistance in Obese and Non Obese Individuals NKA Hussaini, SS Mutlak, AK Mohammed Journal of Natural Sciences Research 5 (6), 55 - 60 , 2015 2015
