Judul: Analisis Potensi Senyawa Flavonoid pada Daun Salam sebagai Inhibitor Papain-Like Protease SARS-CoV-2 secara In Silico
Abstrak: SARS-CoV-2 menyandi enzim papain-like protease (PLpro) yang berperan dalam proses replikasi virus. Hal tersebut menjadikan enzim PLpro sebagai target penting dalam pengembangan obat antivirus yang baru. Daun salam (Syzygium polyanthum) merupakan salah satu tanaman obat di Indonesia yang berasal dari famili Myrtaceae. Tanaman ini dilaporkan memiliki kandungan flavonoid yang potensial sebagai anti-SARS-CoV-2. Penelitian ini bertujuan mengidentifikasi senyawa flavonoid daun salam sebagai kandidat inhibitor enzim PLpro SARS-CoV-2 melalui uji in silico, serta menganalisis interaksi molekuler senyawa flavonoid tersebut dengan sisi aktif enzim PLpro. Metode yang digunakan dalam penelitian ini adalah penapisan virtual menggunakan perangkat lunak YASARA Structure. Hasil penelitian menunjukkan 9 dari 11 senyawa uji memiliki aktivitas penghambatan terhadap enzim PLpro, antara lain kuersitrin, mirisitrin, mirisetin, kuersetin, epigalokatekin-3-galat, delfinidin, malvidin, kuersetagetin, dan flavan-3-ol. Senyawa kuersitrin berpotensi sebagai inhibitor terbaik PLpro dengan energi ikatan sebesar -7.3450 kkal/mol dan konstanta disosiasi sebesar 4.13 x 106 pM, sehingga senyawa ini dapat dikembangkan sebagai obat anti SARS-CoV-2., SARS-CoV-2 encodes papain-like protease (PLpro) that plays an essential role in viral replication, making it an important target for developing new antiviral drugs. Bay leaf (Syzygium polyanthum) is one of the medicinal plants in Indonesia that comes from the Myrtaceae family. This plant is reported to contain flavonoids that are potential as antivirus SARS-CoV-2. This study aims to identify the flavonoid compounds of the bay leaf as a candidate for SARS-CoV-2 PLpro enzyme inhibitor through an in silico test, as well as to analyze the molecular interaction of flavonoid compounds with the active site of the PLpro enzyme. Virtual screening doing by the YASARA Structure software. As a result, 9 of the 11 analyze compounds have the potential to inhibit the activity of the PLpro enzyme, such as quercitrin, myricitrin myricetin, quercetin, epigallocatechin-3-gallate, delphinidin, malvidin, quercetagetin, and flavan-3-ol. Quercitrin is the best compound that inhibits PLpro with a binding energy of -7.3450 kcal/mol and a dissociation constant of 4.13 x 106 pM, so it can be used as an anti-SARS-CoV-2 drug development agent.
Keyword: bay leaf, flavonoid, PLpro, SARS-CoV-2, virtual screening

Judul: Analisis Penambatan Molekuler Senyawa Aktif Daun Salam  (Syzygium polyanthum) Terhadap 3-Chymotripsin-Like Protease Sars-CoV-2
Abstrak: NADYA KARUNIA PUTRI. Analisis Penambatan Molekuler Senyawa Aktif Daun Salam (Syzgium polyanthum) terhadap 3-Chymotripsin-Like Protease Sars CoV-2. Dibimbing oleh I MADE ARTIKA dan RINI KURNIASIH. Coronavirus Disease (COVID-19) merupakan penyakit menular yang disebabkan oleh Severe Acute Respiratory Syndrome Coronavirus-2. Senyawa dengan aktivitas antivirus dapat dijadikan sebagai kandidat obat COVID-19 dengan menginhibisi enzim 3CLpro yang berperan penting dalam proses replikasi SARS-CoV-2. Daun salam memiliki senyawa aktif sebagai antivirus, namun potensinya sebagai inhibitor 3-chymotrypsin-like-protease belum diketahui. Penelitian ini bertujuan menguji potensi senyawa aktif daun salam sebagai inhibitor 3CLpro secara in silico. Metode yang digunakan yaitu analisis homologi, kualitas struktur, dan daerah penting, preparasi reseptor dan ligan, validasi gridbox, penapisan virtual, prediksi Lipinski dan toksisitas, dan analisis visualisasi interaksi ligan-reseptor. Penapisan virtual yang dilakukan terhadap 52 ligan uji menunjukkan terdapat 12 ligan uji yang memiliki energi bebas Gibbs yang lebih baik dibandingkan ligan alami dan dua ligan pembanding. Oleh karena itu, komponen kimia daun salam berpotensi sebagai kandidat antivirus SARS-CoV-2., NADYA KARUNIA PUTRI. Molecular Docking Analysis of Bay Leaf (Syzygium polyanthum) Active Compound against 3-Chymotrypsin-Like Protease Sars-CoV 2. Supervised by I MADE ARTIKA and RINI KURNIASIH. Coronavirus Disease (COVID-19) is an infectious disease caused by Severe Acute Respiratory Syndrome Coronavirus-2. Compounds with antiviral activity can be used as candidates for COVID-19 drugs by inhibiting the 3CLpro enzyme which plays an important role in the SARS-CoV-2 replication process. Bay leaf has an active compound as an antiviral, but its potential as a 3- chymotrypsin-like-protease inhibitor is not yet known. This study aims to examine the potential of bay leaf active compounds as inhibitors of 3CLpro in silico. The methods used are analysis of homology, structural quality, and important areas, receptor and ligand preparation, gridbox validation, virtual screening, Lipinski prediction and toxicity, and ligand-receptor interaction visualization analysis. Virtual screening performed on 52 test ligands showed that there were 12 test ligands that had better Gibbs free energy than natural ligands and two comparison ligands. Therefore, the chemical components of bay leaf are potential candidates for SARS-CoV-2 antiviral.
Keyword: COVID-19, 3CLpro, bay leaf, in silico

Judul: Metrik Einstein (Anti-) Self-Dual Berdimensi Empat dengan Metode Cartan
Abstrak: Gravitational field equation can be formulated in differential forms (differential geometry), which describes gravity as a manifestation of the curvature of space-time. Curvature of space-time is characterized by a metric that satisfies the gravitational field equation. With differential forms it can be formulated the (anti-) self-dual Einstein equation, which is a modification of the Cartan structure in (anti-) self-dual basis. Calculation of (anti-) self-dual metric with (anti-) self-dual Einstein equation is simpler than the calculation using Christoffel symbols.
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