利用5α-还原酶抑制三叶草叶生物活性物质的硅质分析探讨其抗脱发活性

IF 0.5 Q4 EDUCATION & EDUCATIONAL RESEARCH

Rasayan Journal of Chemistry Pub Date : 2023-01-01 DOI:10.31788/rjc.2023.1638393

None H. Kasmawati, None R. Mustarichie, None E. Halimah, None R. Ruslin, None A. Arfan, N. A. Sida, S. Suryani, None Y. Yamin

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ANTIALOPECIA ACTIVITY EXPLORATION BY In-silico ANALYSIS OF BIOACTIVE COMPOUNDS FROM Sansevieria trifasciata PRAIN LEAVES THROUGH 5α-REDUCTASE INHIBITION

Numerous reports link hair loss to alopecia, a major concern in baldness treatment. Identifying new, effective 5α-reductase inhibitors is crucial for better alopecia treatment. This study explores the Sansevieria trifasciata Prain fraction's potential as an inhibitor based on docking and molecular dynamics. Oliveramine (-9.14 kcal/mol) and Methyl pyropheophorbide A (-7.93 kcal/mol) exhibit the best affinity, interacting with critical residues Arg114 and Phe223. MM-PBSA analysis confirms their superiority over finasteride, with binding affinities of -146.472 kJ/mol and -120.004 kJ/mol, respectively. Methyl pyropheophorbide A shows stability, cohesiveness

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来源期刊

Rasayan Journal of Chemistry Energy-Energy (all)

CiteScore

1.90

自引率

0.00%

发文量

196

期刊介绍： RASĀYAN Journal of Chemistry [RJC] signifies a confluence of diverse streams of chemistry to stir up the cerebral powers of its contributors and readers. By introducing the journal by this name, we humbly intent to provide an open platform to all researchers, academicians and readers to showcase their ideas and research findings among the people of their own fraternity and to share their vast repository of knowledge and information. The journal seeks to embody the spirit of enquiry and innovation to augment the richness of existing chemistry literature and theories. We also aim towards making this journal an unparalleled reservoir of information and in process aspire to inculcate and expand the research aptitude.