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Go to Editorial ManagerVital cellular processes such as, proliferation and tumor progression were reported to be centrally controlled by histone deacetylase (HDAC) enzymes which make them an interesting therapeutic target. Recently, a new paradigm has attracted researches to combine nonsteroidal anti-inflammatory drugs (NSAIDs) with para-aminobenzoic acid (PABA) and a zinc binding group (ZBG), presenting a synergistic impact on HDAC activity and inflammatory process. In the current study, a novel series of hybrid compounds (A1-6) were designed and evaluated for their HDAC binding affinity by molecular docking technique along with conducting an in-silico ADME (absorption, distribution, metabolism, and elimination) profiling to assess their pharmacokinetic characteristics. Compound A6 displayed the highest binding energy score (-9.539 kcal/mol) with the active site of HDAC 8 enzyme compared with the reference ligand, SAHA (-4.606 kcal/mol). Its worth mentioning that compound A6 has comparable coordination to the catalytic zinc ion with SAHA along with engaging additional hydrophobic and aromatic interaction within the active site of HDAC 8 enzyme. ADME analysis predicated high gastrointestinal absorption for A2, A5, and A6, which also comply with Lipinski's rule, indicating good oral bioavailability. Conversely, A1, A3, and A4 showed moderate absorption, suitable for parenteral or localized/colon-targeted delivery, potentially advantageous for colon cancer treatment. These results highlight these hybrids’ potential as HDAC inhibitors and support further synthesis and biological testing.
Objective: As the pandemic effect of viral infection with COVID-19 caused dreadful from death in worldwide, thereafter many vaccines manufactured against it. The aim of this study is to explore the acceptability of anti-COVID-19 vaccine in Iraqi population. Methods: An online survey conducted in February 2022 among current vaccinated people that included 308 participants (108 males and 200 females) aged (18-66) years. The questionnaire involved questions about the vaccine type ,vaccine dose number, presence of infection after vaccination, symptom of infection after vaccination, period of infection appearance after vaccination, duration of infection presence after vaccination. Results: The upper percent of questionnaire database reported that 68% of people take Pfizer vaccine, 84 % of people take twice dose of vaccine. Moreover, 68 % of people not infected after taking vaccine, symptom that appear after vaccination 15% mild to moderate. While, the period of infection appearance after vaccination was 25% more than one month, and the duration of infection presence after vaccination was 22% about one week. Conclusion: The outcomes of this study showed the important role of anti- COVID-19 vaccine in constricted the spreading effect of COVID-19 infection for a reasonable level.