<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Emranul Kabir</style></author><author><style face="normal" font="default" size="100%">M. R. O. Khan Noyon</style></author><author><style face="normal" font="default" size="100%">Md. Amjad Hossain</style></author><author><style face="normal" font="default" size="100%">Pranta Acharjee</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">DFT and Pharmacokinetic Study of Some Heterocyclic Aspirin Derivatives as The Cyclooxygenase Inhibitors: An In-Silico Approach</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">ADMET.</style></keyword><keyword><style  face="normal" font="default" size="100%">Aspirin</style></keyword><keyword><style  face="normal" font="default" size="100%">DFT</style></keyword><keyword><style  face="normal" font="default" size="100%">Heterocyclic compound</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular docking</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2022</style></year><pub-dates><date><style  face="normal" font="default" size="100%">January 2023</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">14</style></volume><pages><style face="normal" font="default" size="100%">1005-1021</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;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.&lt;/p&gt;
&lt;quillbot-extension-portal&gt;&lt;/quillbot-extension-portal&gt;</style></abstract><issue><style face="normal" font="default" size="100%">6s</style></issue><work-type><style face="normal" font="default" size="100%">Research Article </style></work-type><section><style face="normal" font="default" size="100%">1005</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Emranul Kabir&lt;sup&gt;1, 2,*&lt;/sup&gt;, M. R. O. Khan Noyon&lt;sup&gt;1&lt;/sup&gt;, Md. Amjad Hossain&lt;sup&gt;1&lt;/sup&gt;, Pranta Acharjee&lt;sup&gt;1&lt;/sup&gt;&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Faculty of Science, Department of Chemistry, University of Chittagong, Chittagong, 4331, BANGLADESH.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Department of Electrical and Electronic Engineering, International Islamic University Chittagong, Chittagong, 4318, BANGLADESH.&lt;/p&gt;
&lt;quillbot-extension-portal&gt;&lt;/quillbot-extension-portal&gt;</style></auth-address></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Zahriah</style></author><author><style face="normal" font="default" size="100%">Fadlina Chany Saputri</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Evaluation of Co-administration of Roselle Water Extract (Hibiscus sabdariffa L.) and Aspirin for Antiplatelet Therapy in Male Sprague-Dawley Rats</style></title><secondary-title><style face="normal" font="default" size="100%">Pharmacognosy Journal</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Aspirin</style></keyword><keyword><style  face="normal" font="default" size="100%">Bleeding time</style></keyword><keyword><style  face="normal" font="default" size="100%">Roselle water extract</style></keyword><keyword><style  face="normal" font="default" size="100%">Survival rate</style></keyword><keyword><style  face="normal" font="default" size="100%">Thromboembolism</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2021</style></year><pub-dates><date><style  face="normal" font="default" size="100%">March 2021</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">13</style></volume><pages><style face="normal" font="default" size="100%">563-569</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Background:&lt;/strong&gt; 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. &lt;strong&gt;Objective: &lt;/strong&gt;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. &lt;strong&gt;Materials and Methods:&lt;/strong&gt; 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.&lt;strong&gt; Results:&lt;/strong&gt; 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. &lt;strong&gt;Conclusion:&lt;/strong&gt; Therefore, roselle water extract does not affect the pharmacodynamics of aspirin.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">2</style></issue><work-type><style face="normal" font="default" size="100%">Research Article</style></work-type><section><style face="normal" font="default" size="100%">563</style></section><auth-address><style face="normal" font="default" size="100%">&lt;p class=&quot;rtejustify&quot;&gt;&lt;strong&gt;Zahriah&lt;sup&gt;1,2,&lt;/sup&gt; Fadlina Chany Saputri&lt;sup&gt;3,&lt;/sup&gt;*&lt;/strong&gt;&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;1&lt;/sup&gt;Graduate Program, Faculty of Pharmacy, Universitas Indonesia, Kampus UI Depok, 16424, INDONESIA.&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;2&lt;/sup&gt;Pharmacy Program, Politeknik Kesehatan Kementerian Kesehatan Pangkalpinang, 33684, INDONESIA&lt;/p&gt;

&lt;p class=&quot;rtejustify&quot;&gt;&lt;sup&gt;3&lt;/sup&gt;Department of Pharmacology, Faculty of Pharmacy, Universitas Indonesia, Kampus UI Depok, 16424, INDONESIA.&lt;/p&gt;
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