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Oktoba, Zulpakor
Department Of Pharmacy, Faculty Of Medicine, Universitas Lampung, Bandar Lampung, Lampung, 35145
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Journal : Journal of Pharmascience

 1 
Molecular Docking Studies and ADME-Tox Prediction of Phytocompounds from Lycopersicon esculentum mill. as a Drug Candidate for Alopecia Treatment Zulpakor Oktoba; Recky Patala; Muhammad Fitra Wardhana Sayoeti; Putu Ristyaning Ayu Sangging; Tri Umiana Soleha
Journal of Pharmascience Vol. 13 No. 1 (2026): Jurnal Pharmascience
Publisher : Universitas Lambung Mangkurat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20527/jps.v13i1.24836

Abstract

Alopecia is a disorder of the hair follicles that causes hair loss, either in limited areas or throughout the entire body. This study aims to evaluate the potential and molecular interactions of compounds found in the Rampai plant (Lycopersicon esculentum Mill.). The Rampai plant is known to contain various secondary metabolites such as alkaloids, flavonoids, arbutin, amygdalin, and pectin, which have the potential to be developed as antialopecia drug candidates through an in-silico approach to androgen receptors (PDB ID: 4K7A) and ADME-Tox profile predictions. The in-silico approach was conducted using the molecular docking method to predict the interaction between the active compounds from the Rampai plant and the androgen receptor using Autodock Tools 1.5.7 and Vina software, while the ADME-Tox analysis was conducted through the pkCSM platform. The molecular docking results showed that the reference ligand (Minoxidil) had an affinity energy of −7.353 kcal/mol, while the test compound with the best affinity was isorhamnetin with a value of −8.398 kcal/mol, which was lower (more stable) than Minoxidil. In addition, the ADME-Tox prediction results for isorhamnetin show favorable pharmacokinetic characteristics, especially in terms of skin permeability, absorption and distribution. Thus, isorhamnetin has the potential as an androgen receptor antagonist and a role in the development of therapies for alopecia.
Co-Authors Abda Abda Adrifianie, Femmy Afna Nur Afni Palogan Afriyani Afriyani Afriyani, Afriyani Agaphe Suluh Brahmantio Agnes Monica Murisla Ali, Nur Fitriana Muhammad Ambarwati, Endah Andi Nafisah Andrifianie, Femmy Anisa Safitri Annisa Tamara Panjaitan Ari Irawan Ari Irawan Ari Irawan Ari Wahyuni Aryni, Dinda Chalysta Asep Sukohar Asep Sukohar Athallah, Muhammad Muzhafar Athallah, Muhammad Muzhaffar Atri Sri Ulandari Atri Sri Ulandari Atri Sri Ulandari Az Zahra, Ghina Nazhifah Bayu Anggileo Pramesona Ciptaningrum, Sekar Rahmasari Ratna Dhia Insyirah Antoni Endah Ambarwati Eristo PNR, Claresta Salma Ervina Damayanti Evy Afriyani Fariha Ais Aliya Fathia, Syaharani Noer Femmy Andrifianie Firdaus, Wahyu Alfath Hanif Hibatulloh Helmi Ismunandar Ihsanti Dwi Rahayu Ilyas Prabamukti Junando, Mirza Kurniawaty, Evi Lani Hartanti Makki, Callista Auli Mallarangeng, Andi Nafisah Tendri Adjeng Maulano, Muhammad Ravlizar Mega, Sri Wulan Muhammad Fitra Wardhana Sayoeti Muhammad Iqbal Mutiara Nauli Br. Sitinjak Noer Fathia, Syaharani Novriana, Dina NUR AFRIYANI Oktafany Parabi, Muhammad Iqbal Pardilawati, Citra Yuliyanda Purba, Gemi Sabrina Putra Seta, Amanda Putri, Adhilah Marani Putu Ristyaning Ayu Putu Ristyaning Ayu Sangging Rahmadhita, Elmira Rahmasari, Sekar Ramadhan Triyandi Ramadhan Triyandi Ramadhan, Ananda Abdullah Zaki Ramadhina, Farrasyifa Ramadianti, Savira Ramdini, Dwi Aulia Rani Himayani Rasmi Zakiah Oktarlina Recky Patala Recky Patala Reval Hidayat Risti Graharti Romulya, Ari Irawan Sangging, Putu Ristyaning Ayu Silvia Sekar Ardi Nurjana Suharmanto Suri, Nurma T. Adjeng, Andi Nafisah Tiara Aninditha Tri Umiana Soleha Tri Umiana Soleha Triyandi, Ramadhan Tsania Zahra Taslima Vira Margitha, Ayu Wardhana, Donny Kesuma Widodo, Alya Rahmah Yulianti, Mega Intan Zahra Taslima, Tsania