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Dwi Anggraini
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Predicting the Anti-Pulmonary Fibrosis Potential of Physalis angulata Compounds A Computational Study Farid, Muhammad; Kirana, Assa Aulia; Oktaviana, Nandita Diah; Rasyda, Sofia; Anggraini, Dwi; Ramadhania, Widya Aryana
Biology, Medicine, & Natural Product Chemistry Vol 14, No 2 (2025)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2025.142.817-824

Abstract

Pulmonary fibrosis is a progressive lung disease characterized by tissue scarring and respiratory decline. Existing treatments have limited efficacy and significant side effects. Physalis angulata, a traditional medicinal plant, shows promise for antifibrotic therapy due to its bioactive compounds potentially targeting key fibrotic pathways. This study aims to predict the potential of Physalis angulata compounds to PI3K/AKT protein as candidates for antifibrotic therapy. Ten active compounds from P. angulata were docked against the PI3K/AKT protein (PDB ID: 2UZT) using AutoDock Vina. Docking was validated by redocking the native ligand. Binding affinities and molecular interactions were analyzed. ADMET properties were predicted via the pkCSM platform to assess pharmacokinetics and toxicity. Myricetrin exhibited the strongest binding affinity (-9.6 kcal/mol), surpassing the native ligand (-9.1 kcal/mol). Other flavonoids, including eriodictyol (-8.9 kcal/mol), naringin (-8.8 kcal/mol), and apigenin (-8.5 kcal/mol), also showed favorable affinities. Critical amino acids involved were Asp184 and Glu121. The redocking RMSD value of 0.893 Ã confirmed methodological accuracy. ADMET predictions revealed high intestinal absorption for tangeretin and apigenin, with no mutagenic or hepatotoxic risks, indicating good pharmacokinetic profiles. Physalis angulata flavonoids exhibit strong PI3K/AKT binding and favorable pharmacokinetics, supporting their potential as antifibrotic agents.
Co-Authors Afifah, Aras Adzro Agnesia Amanda, Fiska Agusdianita, Neza Agusti, Ersa Akmal Akmal Al-Faiz, Ahmad Haris Almanda, Rico Amalia Safitri Amalia Safitri Amanda, Aura Muerly Anang Ansyori Andini, Tiara Anggraeny Puspaningtyas Anindya, Desy Anisa Nurina Aulia Annafi, Muhammad Apfani, Sry Aranita, Septi Arifin, Aya Yuriesta Ariva, Helmi Arya Muharsyah, Shafa Athena Anwar Athena Anwar Atika Susanti Aya Yuriesta Arifin Bambang Sahono Basuki Budiman Basuki Budiman Bazlina Dawami Afrah Budhiawan, Adlin Budi Halomoan Siregar Cundari, Lia Dadi, Sri Darmansyah, Ady Dewi, Rinda Ayu Dicky Alexander Rajaguk Guk Diena Juliana, Diena Fadillah, Tri Faisal Basyir Ferbriani Ferbriani Ferbriani, Ferbriani Ferdinand Hukama Taqwa Fevi Rahmawati Suwanto Firdaus, Ahdiat Fitri Hadiah Fitri Rizki Fitri, Raehanun Aisyah Fitri, Rizza Fadillah Fitriyah Fitriyah Flores Tanjung Gayatri, Rianyza Ginanjar Putri Nastiti Haryadi, Mahardika Chory Hasanah, Imrotul Hasibuan, Hasrul Hasnawati Hasnawati Hasnawati Hasnawati Hasnawati Herlena, Neti Hutabarat, Revalina Ayu Natalia Ichwan, M Ilma, Dwika Tamara Ismail Husein, Ismail Jonatan Pardamean Simanungkalit Juliansyah, Roni Junesta, Lesty Kartika Pela Kevin Tanjung Khairani, Athirah Kheni Nazwa Khojanah Hasan Kirana, Assa Aulia Kurniawati, Ike Leily Nurul Komariah Lestari, Yopika M Ihsan Riady M. Bisri M. Idris M. Kendry Widiyanto Maftuchoh, Joana Masri Pradipto Mayu Rahmayanti Melisa Melisa Mila Auli Hartantri Muhammad Amiruddin Muhammad Farid Muhammad Habibie Muhammad Khumaedi Muhammad Kristiawan Muhammad Walidin Murgani, Ramli Nabilah, Wildani Nisrina Nani Yuliantini Noperman, Feri Nurul Al Varqani Nurul Amalia Oktaviana, Nandita Diah P.P.P.A.N.W.Fikrul Ilmi R.H.Zer Pakpahan, Dewi Panjaitan, Josua Panut Setiono Parmadi, Bambang Pasaribu, Tiar Meidayani Pela, Kartika Pertiwi, Ella Cahaya Pravitasari, Sintiya Indri Puspitasari, Riska Putri, Aisya Nabila Rahmadian, Muhammad R Rahmadina, Rahmadina Ramadhania, Widya Aryana Rasyda, Sofia Revalina Ayu Natalia Hutabarat Riana Debora Br Tarigan Rifka Elianti Br. Kaban Rinda Ayu Dewi Rohiat, Rohiat Ryanto, Hastomo Danu Sadli Syarifuddin Safitri, Weny Salma Fairus Taufiq Salsabila, Mardenti Salsabila, Zhafirah Santa De Luisa Sitorus Saragih, Amelia Cristy Sari, Mirda Dwi Puspa Sembiring, Erika Sembiring, Quia Natasya br Sesilia Setiawati, Mika Setiono, Panut Silvania, Novia Sinaga, Ruth Silvia Siregar, Ari Ramadhan Siregar, Jelita Siregar, R. Maisaroh Rezyekiyah Sirojuddin Ibnu Nur Siti Aisyah Sitorus, Santa De Luisa Solikhun Sri Dadi Sri Wahyuni Sumarsih, Indriastuty Susila Arita Susmanto, Prahady Suwangsih, Iwang Syafi'i, Imam Syamia, Nanda Syamsul Hadi Tarmizi, Pebrian Teja Kaswari Tharisa Thesa Aqilla Tri Andri Hutapea Tri Novita Sari, Tri Novita Trisnani Widowati, Trisnani Tuti Indah Sari, Tuti Indah Ulil Albab Utami, Rahayu Dwi Wahyu Febri Lestari Widyastuti, Wahyu Tri Wijaya, Rian Farta Wildani Niarina Nabilah Wurjinem, Wurjinem Yanti, Aprili Yayuk Widyastuti Herawati Yolanda, Alya Putri Yuliamir, Henry Yuliantini, Nani YULISMAN Yunilis Andika Yusi Asnidar Yusnia, Yusnia Zahra Hanifah Kathin Zalman, Arjun Zanaidah, Ristini Zhafirah Salsabila