Judul: In Silico Analysis of Flavonoid Compounds of Bay Leaf (Syzygium polyanthum) in inhibiting 3C-Like Protease SARS-CoV-2
Abstrak: Daun salam (Syzygium polyanthum) diidentifikasi memiliki senyawa aktif flavonoid. Flavonoid dilaporkan memiliki aktivitas antivirus. SARS-CoV-2 merupakan virus dari penyakit COVID-19. Virus ini dapat ditularkan dari manusia ke manusia. SARS-CoV-2 memiliki beberapa komponen penting salah satunya yaitu 3C-Like Protease. 3C-Like Protease berperan penting terhadap replikasi coronavirus. Penelitian ini bertujuan mempelajari interaksi antara senyawa flavonoid Daun salam (Syzygium polyanthum) dalam menghambat 3C-like Protease SARS-CoV-2 melalui uji in silico menggunakan teknik penapisan virtual serta memprediksi kemampuannya untuk dijadikan sediaan obat oral dengan memprediksi sifat bioavailabilitas dan toksisitasnya. Potensi terbaik terlihat pada Quercitrin dan Myricitrin dengan masing-masing ΔG -8.926 kkal/mol dan -8.858 kkal/mol. Dua senyawa tersebut memiliki berbagai interaksi ikatan hidrogen dan hidrofobik terhadap asam amino pada reseptor, serta diprediksi memiliki bioavailabilitas yang cukup baik dan tidak bersifat toksik, sehingga dapat menjadi kandidat inhibitor potensial enzim 3C-like Protease SARS-CoV-2 untuk dijadikan sediaan obat oral dalam menangani pandemik COVID-19., Bay leaf (Syzygium polyanthum) has been identified to have active flavonoid compounds. Flavonoids are reported to have antiviral activity. SARSCoV-2 is a virus from the COVID-19 disease. This virus can be transmitted from human to human. SARS-CoV-2 has several important components, one of which is 3C-Like Protease. 3C-Like Protease plays an important role in coronavirus replication. This research aims to study the interaction of flavonoid compounds in bay leaf (Syzygium polyanthum) in inhibiting the 3C-like Protease SARS-CoV-2 through in silico analysis using virtual screening techniques and predicting its ability to be used as an oral drug candidate by predicting its bioavailability and toxicity. The best potency was found in Quercitrin and Myricitrin with ΔG value of -8,926 kcal/mol and -8,858 kcal/mol, respectively. The two compounds have various hydrogen bondings and hydrophobic interactions with the amino acid residues of the receptor and are predicted to have good bioavailability and non-toxic properties so that they become potential inhibitors of 3C-Like Protease of SARSCoV-2 as oral drug candidate in dealing with the COVID-19 pandemic
Keyword: bay leaf, 3C-Like Protease, flavonoid, SARS-CoV-2

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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