Competitive Analysis of the Binding Affinity of Montelukast, Zafirlukast and Gemilukast to CysLTR1, P2Y12 and PPAR-? and their Possible Cardioprotective Effect: Using in silico Methods

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dc.contributor.authorRoy, Matrika Sahaen_US
dc.contributor.authorSarkar, Bidduth Kumaren_US
dc.contributor.authorNadvi, Md Rohanen_US
dc.contributor.authorSarkar, Arghya Prosunen_US
dc.contributor.authorKundu, Sukalyan Kumaren_US
dc.contributor.authorAhmed, Hossainen_US
dc.contributor.authorIslam, Md Jahirulen_US
dc.contributor.authorSarkar, Barno Kumaren_US
dc.contributor.authorSingh, Peteren_US
dc.contributor.authorMaitra, Tanushreeen_US
dc.contributor.authorHasan, Marufen_US
dc.date.accessioned2024-12-02T09:58:55Z
dc.date.available2024-12-02T09:58:55Z
dc.date.issued2024-01
dc.description.abstractBackground: Asthma is a very common respiratory disorder, affecting more than 360 million people worldwide. It is a chronic inflammatory disorder of the airways with the symptoms of shortness of breath, coughing, chest tightness, wheezing, and sometimes chest pain. Leukotrienes play an important role in bronchoconstriction during the allergen or exercise- induced acute asthma attack. Aim: The study aims to predict the interactions between leukotriene antagonist drugs and CysLT receptor-1 (CysLTR1), P2Y12 and peroxisome proliferator-activated receptor gamma (PPAR-?) on a competitive basis. The study also has the objective of understanding the cardioprotective roles of the drugs. Introduction: Asthma is strongly linked to the development of acute coronary syndrome by the leukotriene-induced activation of CysLTR1, platelet aggregation and thrombosis by activating P2Y12. PPAR-? is considered to show benefits against atherosclerosis, diabetes, hypertension, obesity and dyslipidaemia, which are risk factors for the development of cardiovascular disorders. Leukotriene receptor inhibitors act with these three types of receptors to show therapeutic effects. Materials and Methods: To predict the possible interactions between the drugs and the receptors, the study has used in silico methods. Results and Discussion: Montelukast, Zafirlukast and Gemilukast are potential antagonists of CysLTR1 and P2Y12. They are also responsible for the upregulation of PPAR-?. Thus, these drugs show a cardioprotective role in asthma-induced cardiac disorders. Conclusion: A competitive in silico study of Montelukast, Zafirlukast and Gemilukast to predict their binding to CysLTR1, P2Y12 & PPAR-? revealed that Montelukast is more effective than the other two drugs for showing a cardioprotective role.en_US
dc.identifier.affiliationsDepartment of Pharmacy, Jahangirnagar University, Savar, Dhaka, Bangladeshen_US
dc.identifier.affiliationsDepartment of Pharmacy, Comilla University, Cumilla, Bangladeshen_US
dc.identifier.affiliationsDepartment of Pharmacy, Jahangirnagar University, Savar, Dhaka, Bangladeshen_US
dc.identifier.affiliationsDepartment of Pharmacy, Islamic University, Kushtia, Bangladeshen_US
dc.identifier.affiliationsDepartment of Pharmacy, Jahangirnagar University, Savar, Dhaka, Bangladeshen_US
dc.identifier.affiliationsDepartment of Pharmacy, Comilla University, Cumilla, Bangladeshen_US
dc.identifier.affiliationsDepartment of Pharmacy, Comilla University, Cumilla, Bangladeshen_US
dc.identifier.affiliationsDepartment of Orthopedics, Faridpur Medical College, Faridpur, Bangladeshen_US
dc.identifier.affiliationsDepartment of Pharmacy, BRAC University, Dhaka, Bangladeshen_US
dc.identifier.affiliationsDepartment of Physiology, Z. H. Sikder Women’s Medical College & Hospital, Dhaka, Bangladeshen_US
dc.identifier.affiliationsDepartment of Pharmacy, Jahangirnagar University, Savar, Dhaka, Bangladeshen_US
dc.identifier.citationRoy Matrika Saha, Sarkar Bidduth Kumar, Nadvi Md Rohan, Sarkar Arghya Prosun, Kundu Sukalyan Kumar, Ahmed Hossain, Islam Md Jahirul, Sarkar Barno Kumar, Singh Peter, Maitra Tanushree, Hasan Maruf . Competitive Analysis of the Binding Affinity of Montelukast, Zafirlukast and Gemilukast to CysLTR1, P2Y12 and PPAR-? and their Possible Cardioprotective Effect: Using in silico Methods. Journal of Pharmacology and Pharmacotherapeutics. 2024 Jan; 15(1): 28–37en_US
dc.identifier.issn0976-500X
dc.identifier.issn0976-5018
dc.identifier.placeIndiaen_US
dc.identifier.urihttps://imsear.searo.who.int/handle/123456789/239300
dc.languageenen_US
dc.publisherSage Publications India Pvt. Ltd.en_US
dc.relation.issuenumber1en_US
dc.relation.volume15en_US
dc.source.urihttps://doi.org/10.1177/0976500X241232235en_US
dc.subjectAsthmaen_US
dc.subjectcardiovascular disordersen_US
dc.subjectMontelukasten_US
dc.subjectZafirlukasten_US
dc.subjectGemilukasten_US
dc.subjectCysLTR1en_US
dc.subjectP2Y12en_US
dc.subjectPPAR-?en_US
dc.subjectADMEen_US
dc.subjecttoxicityen_US
dc.subjectbinding affinityen_US
dc.titleCompetitive Analysis of the Binding Affinity of Montelukast, Zafirlukast and Gemilukast to CysLTR1, P2Y12 and PPAR-? and their Possible Cardioprotective Effect: Using in silico Methodsen_US
dc.typeJournal Articleen_US
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