en پتانسیل ضد‌قارچی ترکیبات اصلی <i>Cuminum cyminum</i> L. در هدف قرار دادن آسپارتیل پروتئیناز ترشحی کاندیدا آلبیکنس در مقایسه با فلوکونازول گياهان دارویی Medicinal Plants پژوهشی Research <div style="text-align: justify;"><b><span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times="">Background: </span></span></b><i><span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times="">Candida albicans</span></span></i><span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times=""> is naturally present in the normal human flora. This microorganism changes into an opportunistic fungus due to imbalances in microbiome composition, especially in an impaired immune system condition. The few available antifungal classes, severe toxicity, side effects, high cost, and the emergence of drug resistance are some of the limitations that physicians have in prescribing antifungal drugs<b>.</b></span></span><b> <span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times="">Objective:</span></span></b><span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times=""> The current research aims to study the antifungal potential of the main compounds of <i>Cuminum cyminum </i>L.<i> </i>in inhibiting secreted aspartyl proteinase of <i>C. albicans </i>compared to fluconazole.<b> Methods: </b>In silico techniques were</span></span> <span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times="">employed in this study.</span></span> <span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times="">The main biochemicals of <i>C. cyminum </i>were obtained and optimized.</span></span> <span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times="">2D and 3D structures of chemical compounds were retrieved from the ChemSpider database and HyperChem software respectively. Auto Dock Vina and Discovery Studio 2024 Client were done to detect the potent inhibitor against the enzyme&#39;s active site. Finally, the physicochemical and</span></span> <span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times="">toxicity properties of inhibitors were obtained.</span></span> <b><span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times="">Results:</span></span></b> <span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times="">The results of Auto Dock Vina indicated that Apigenin-7-O- glucoside has 80 percent similarity with fluconazole</span></span> <span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times="">in the potential inhibition and exhibited a high free binding energy (&Delta;Gbind: -10.48 kcal/mol). 13 amino acid residues involved in the interaction between best ligand and receptor that are Thr221, Asp32, Asp218, Asp86, Gly34, Ile123, Tyr84, Gly85, Ile30, Ser35, Ala119, Ile216, and Lys193.</span></span> <b><span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times="">Conclusion: </span></span></b><span style="font-size:10.0pt"><span new="" roman="" style="font-family:" times="">The present study affirmed that Apigenin-7-O- glucoside in <i>C. cyminum </i>could be a promising inhibitor against secreted aspartyl proteinase. However, there is still a need for clinical future investigations to support these findings.</span></span></div> Candida albicans, Cuminum cyminum L., Molecular Docking Simulation, Toxicity, Secreted aspartyl proteinase 64 74 http://jmp.ir/browse.php?a_code=A-10-6922-1&slc_lang=en&sid=1 Azizeh Asadzadeh عزیزه اسدزاده az.asadzadeh@nourdanesh.ac.ir 100319475328460048067 100319475328460048067 Yes Department of Biology, Faculty of Science, Nour Danesh Institute of Higher Education, Meymeh, Isfahan, Iran گروه زیست‎شناسی، دانشکده‌ علوم پایه، مؤسسه‌ی آموزش عالی نور دانش، میمه، اصفهان، ایران Nafiseh Ghorbani نفیسه قربانی ghorbaninafiseh@yahoo.com 100319475328460048068 100319475328460048068 No Department of Microbiology, Faculty of Basic Sciences, Lahijan Branch, Islamic Azad University, Lahijan, Iran گروه میکروبیولوژی، دانشکده علوم پایه، واحد لاهیجان، دانشگاه آزاد اسلامی، لاهیجان، ایران Katayoun Dastan کتایون داستان k_dastan2009@yahoo.co.uk 100319475328460048069 100319475328460048069 No Department of Microbiology, Faculty of Basic Sciences, Lahijan Branch, Islamic Azad University, Lahijan, Iran