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Aulia, Yasinta Sahma
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Biochemistry, Genetics & Molecular Biology Chemistry Health Professions Immunology & microbiology Medicine & Pharmacology

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Molecular docking of alkaloid compounds from the pule pandak plant (Rauvolfia serpentina L.) as inhibitors of angiotensin-converting enzyme Rahma, Annisa Nur; Aghalfi, Revin Rindra Aghalfi; Panggabean, Diva Selviana; Muflihah, Hanny; Gusman, Adisti Faradilla; Aulia, Yasinta Sahma; Regita, Putu Ayu; Auli, Winni Nur; Saputro, Anjar Hermadi
Pharmacy Reports Vol. 2 No. 3 (2022): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.69

Abstract

Hypertension is a major global health issue requiring effective treatments with minimal side effects. The angiotensin-converting enzyme (ACE) is a key target in hypertension therapy, and plant-derived compounds are being explored as potential ACE inhibitors. The pule pandak plant (Rauvolfia serpentina L.) contains alkaloid compounds that may have antihypertensive properties. This study aimed to evaluate the potential of alkaloid compounds (ajmaline, rescinnamine, reserpine, and serpentine) from the pule pandak plant as antihypertensive agents using an in silico molecular docking approach. Molecular docking was conducted to analyze the binding affinity of the alkaloid compounds to the ACE protein (PDB ID: 1UZF). Binding free energy values were calculated using AutoDockTools software. The ajmaline-1UZF complex exhibited the lowest binding free energy (-5.89 kcal/mol), indicating the strongest binding affinity among the tested compounds. This suggests that ajmaline has the highest inhibitory potential for ACE.
Co-Authors Aghalfi, Revin Rindra Aghalfi Anjar Hermadi Saputro Gusman, Adisti Faradilla Muflihah, Hanny Panggabean, Diva Selviana Rahma, Annisa Nur Regita, Putu Ayu Winni Nur Auli