Cytochrome P450 mono-oxygenases (2UUQ) enzyme from Mycobacterium tuberculosis catalyzes oxidation of organic compounds such as lipids and steroidal hormones therefore remain as potential drug target. Currently available first line anti-tuberculosis drugs have been caused several side effects in the body as well as resistance development by mycobacterium against these drugs, necessitates the con...

We are reporting the discovery of small molecule inhibitors for vascular endothelial growth factor receptor type 2 (VEGFR-2) extracellular domain. The VEGFR-2 extracellular domain is responsible for the homo-dimerization process, which has been recently reported as a main step in VEGFR signal transduction cascade. This cascade is essential for the vascularization and survival of most types of c...

BACKGROUND Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are one of the key components in highly active anti-retroviral therapy because of their high specificity and less toxicity. NNRTIs inhibit reverse transcriptase enzyme by binding to the allosteric site, which is 10Å away from the active site. Rapid emergence of resistance is the major problem with all anti-HIV agents. Hence, th...

In this study, the existence of biological potential of selected N-(substituted phenyl)-2-chloroacetamides was examined none empirically, as was the possibility of applying simpleexperimental technique in predicting essential properties which affect the biological activityof the compounds. By applying the Lipinski and Ghose’s rules, it has been revealed that theexamined chloroacetamides fulfill...

In this study, the existence of biological potential of selected N-(substituted phenyl)-2-chloroacetamides was examined none empirically, as was the possibility of applying simpleexperimental technique in predicting essential properties which affect the biological activityof the compounds. By applying the Lipinski and Ghose’s rules, it has been revealed that theexamined chloroacetamides fulfill...

Protease inhibitor Lopinavir, Ritonavir, Remdesivir yang bekerja pada RNA polimerase virus (Main Protease) diprediksi dapat memberikan aktivitas baik dalam pengikatan dengan reseptor secara in silico dan potensial sebagai penghambat COVID-19. Tujuan penelitian ini adalah untuk mengetahui toksisitas Remdesivir, Favipiravir menggunakan software Toxtree interaksi kestabilan obat resepetor M-Protea...

Kanker otak adalah tumor ganas yang dapat tumbuh dan menyebar dengan cepat mengalahkan sel-sel normal untuk mengambil tempat, darah, nutrisi tersebut. Lengkuas merupakan salah satu tumbuhan khas Indonesia senyawanya telah diteliti menunjukkan aktivitas sebagai antiinflamasi antioksidan menjadi cikal bakal antikanker. Tujuan penelitian ini yaitu mendapatkan kandidat senyawa baru antikanker beras...

The use of synthetic drugs is associated with various side effects and it important to look for other from medicinal plants. Therefore, this study aimed at assessing the inhibitory activities Calotropis procera leaf against ?-glucosidase hydrolase Sus B it?s possible mode inhibiting enzyme through molecular docking studies. From analysis, results shows that out thirty six (36) screened phytoche...

Di Indonesia, terdapat berbagai macam tumbuhan yang dapat digunakan sebagai obat tradisional, salah satunya yaitu daun tanaman kelor (Moringa oleifera L.) berpotensi antidiabetes. Proses penemuan memerlukan tahapan banyak dan waktu lama. Salah satu cara dalam mempercepat proses kandidat baru adalah dengan pendekatan secara komputasi docking molekular. Bahan penelitian protein 2HV5 pada enzim al...

A dengue é uma doença emergente com grande impacto na saúde pública, milhões de infecções virais ocorrendo anualmente, para a qual ainda não existe terapia eficaz. O presente estudo tem como objetivo realizar predição das propriedades físico-químicas, farmacocinéticas e toxicológicas candidatos medicamentos contra dengue. 17 fármacos anti-dengue foram desenvolvidos plataforma PubChem Sketcher V...