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A BSTRACT Alopecia is a condition in which some or all of the hair from the scalp is lost. One recent preventative measure is the inhibition of the enzyme 5-α-reductase. Inhibition of the enzyme 5-α-reductase converts circulating testosterone to its more potent metabolite, dihydrotestosterone. Ethnobotically, Merremia peltata is used as a baldness medicine by utilising compounds contained within the leaves. This research aimed to test activity of 18 known compounds contained within M. peltata ) as anti-alopecia. Activity was based on their interaction with the androgen receptor (PDB code 4K7a) using molecular docking and ADME-Tox prediction. The stages of research performed were: preparation of androgen protein structure databases; preparation and optimization of three-dimensional structures of compounds using ChemDraw 8.0; molecular docking to the androgen receptor protein using Autodock 1.5.6.; and ADME-Tox prediction using the pkCSM tool. The following test compounds had strong bond energies (ΔG): compound 16 (olean-12-en-3beta-ol, cinnamate)-7.71 kcal/mol, compound 17 (alpha-amyrine)-6.34 kcal/mol, and Finasteride-6.03 kcal/mol. Interestingly, the ΔG of compound 16 (olean-12-en-3beta-ol, cinnamate) is better than of minoxidil (-4.8 kcal/mol) and also to gold-standard treatment compound, finasteride. ADME-Tox prediction for compound 16 showed favorable results in several metrics such as skin permeability, absorption, and distribution. Compound 16 (olean-12-en-3beta-ol, cinnamate) is therefore a potential androgen receptor antagonist and may be beneficial in the treatment of alopecia.

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Alopecia is a health condition in which the hair loses its function in some or all of the body. Alopecia occurs due to various genetic, environmental, and nutritional factors. One of the methods developed to treat alopecia is through inhibition of the enzyme 5-α-reductase, which converts testosterone into its more potent metabolite, dihydrotestosterone (DHT). In ethnomedicine, the leaves of Merremia peltata are used by the people of Sulawesi as a remedy for baldness. Therefore, in this study, an in vivo study was conducted on rabbits to investigate the antialopecia activity of the ethanolic extract of M. peltata leaves. The purified M. peltata leaf extract was fractionated using vacuum liquid chromatography with several solvents to produce fractions F1–F5. Each fraction was then retested in vivo in rabbits, and its content was then analyzed by LC-MS. An in silico study was then carried out using minoxidil as a comparison ligand; 17 compounds derived from M. peltata leaves were identified as antialopecia compounds through prediction of molecular interactions and molecular dynamics simulation and prediction of absorption, distribution, metabolism, excretion, and toxicology (ADME-Tox). The assay results showed that fractions F2 and F3 had a better effect on hair growth compared to the positive control, and the test compound obtained from the LC-MS analysis, bufotalinin, had a strong binding energy to the receptor in the molecular docking interaction study: −5.99 kcal/mol compared to −4.8 kcal/mol for minoxidil. Molecular dynamics simulation analysis with complex stability parameters based on solvent-accessible surface area (SASA), principal component analysis (PCA), root mean square deviation (RMSD), and root mean square fluctuation (RMSF) showed that bufotalinin has good affinity for androgen receptors. ADME-Tox prediction for bufotalinin showed good results for the parameters of skin permeability, absorption, and distribution. Therefore, bufotalinin, a steroid compound, is a potential androgen receptor antagonist and could be useful in the treatment of alopecia.

Abstrak Penyakit Diabetes Melitus (DM) adalah penyakit kronis yang terjadi ketika pankreas tidak menghasilkan insulin yang cukup atau ketika tubuh tidak dapat secara efektif menggunakan insulin yang dihasilkan. Hal ini menyebabkan peningkatan konsentrasi glukosa dalam darah. Dalam kehidupan kita sehari-hari tidak terlepas dari penggunaan gula. Gula selalu digunakan untuk membuat makanan dan minuman menjadi manis. Gula pasir yang berasal dari tebu sering dihindari pasien diabetes karena kandungan glukosa dalam senyawa sukrosanya yang mudah dipecah oleh tubuh. Bila dicermati air tebu mengandung saccharant, senyawa jenis polisakarida non-pati, yang  berkhasiat sebagai antidiabetik. Tetapi senyawa polisakarida itu pecah saat proses pemanasan menjadi sukrosa yang mana bisa menjadi pencetus diabetes. Sehingga banyak orang beralih menggunakan bahan alami lainnya, seperti gula kelapa. Gula kelapa mengandung serat yang dikenal sebagai insulin yang membantu penyerapan lambat glukosa ke bawah, yang sangat bagus untuk orang-orang berurusan dengan masalah diabetes karena mengandung sekitar 15 kalori dan 4 gram karbohidrat. Manfaat gula kelapa pada pengidap diabetes adalah dapat menurunkan glukosa.  Glukosa adalah kadar gula dalam darah yang memicu penyakit diabetes. Gula kelapa mengandung sukrosa sebesar 70-79 persen. Berdasarkan uraian tersebut sehingga gula kelapa sebagai alternatif antidiabetes.