@article {1943, title = {DFT and Pharmacokinetic Study of Some Heterocyclic Aspirin Derivatives as The Cyclooxygenase Inhibitors: An In-Silico Approach}, journal = {Pharmacognosy Journal}, volume = {14}, year = {2022}, month = {January 2023}, pages = {1005-1021}, type = {Research Article }, chapter = {1005}, abstract = {

Ibuprofen and aspirin are frequently used to relieve inflammation, pain, and fever. These are the two most significant non-steroidal and anti-inflammatory drugs (NSAIDs). They prevent the development of prostaglandin by blockampounds have been assessed by ibuprofen as well as quantum mechanical computations. Density functional theory (DFT) with the B3LYP/6-31G+ basis function has been used to elucidate the thermo-chemical, molecular orbital, and optimum geometrical aspects in the gas phase. Using molecular docking and non-bonding interactions, the binding affinities and behaviors of some heterocyclic aspirin analogs have been studied on human cyclooxygenase (COX-1 as well as COX-2) proteins (6Y3C and 5F19). The chemical stability of all structures is supported by geometry and thermo-chemical findings. In contrast to aspirin and ibuprofen, almost all tested analogs exhibited a substantial binding score to the receptor protein (5F19). The ADMET prediction revealed the enhanced pharmacokinetic properties of some derivatives with less acute oral toxicity. Overall, eight heterocyclic aspirin analogues 2-9 were shown to be more effective in inhibiting Cyclooxygenase-2 (5F19) than Cyclooxygenase-1 (6Y3C), indicating that they may be effective as COX-2-related inflammation therapeutic candidates.

}, keywords = {ADMET., Aspirin, DFT, Heterocyclic compound, Molecular docking}, doi = {10.5530/pj.2022.14.204}, author = {Emranul Kabir and M. R. O. Khan Noyon and Md. Amjad Hossain and Pranta Acharjee} } @article {1394, title = {Evaluation of Co-administration of Roselle Water Extract (Hibiscus sabdariffa L.) and Aspirin for Antiplatelet Therapy in Male Sprague-Dawley Rats}, journal = {Pharmacognosy Journal}, volume = {13}, year = {2021}, month = {March 2021}, pages = {563-569}, type = {Research Article}, chapter = {563}, abstract = {

Background: Various herbal side effects caused by interactions between herbs and drugs have been reported and reviewed. For instance, roselle water extract and aspirin have similar functions in maintaining cardiovascular function. Objective: This study aimed to investigate the effect of roselle water extract on aspirin pharmacodynamics observed through the parameters of bleeding time, survival rate and the number of microthrombus that induced thromboembolism in rats. Materials and Methods: Male Sprague-Dawley rats were divided into two different experimental group for bleeding time and survival rate assay. Roselle water extract was given in three various doses (12.5 mg, 25 mg, 50 mg/200 g BW) for seven days followed by aspirin on the last treatment. Results: Results showed that the co-administration of roselle water extract and aspirin did not cause significant changes in the increase in bleeding time, the number of animals that survived and the number of microthrombus. Conclusion: Therefore, roselle water extract does not affect the pharmacodynamics of aspirin.

}, keywords = {Aspirin, Bleeding time, Roselle water extract, Survival rate, Thromboembolism}, doi = {10.5530/pj.2021.13.70}, author = {Zahriah and Fadlina Chany Saputri} }