نتایج جستجو برای: autodock vina

تعداد نتایج: 914  

Journal: :Biophysica 2023

Flaviviruses are among the most critical pathogens in tropical regions; they cause various severe diseases developing countries but not restricted to these countries. The development of antiviral therapeutics is crucial for managing flavivirus outbreaks. Ten proteins encoded RNA. N2B–NS3pro protein complex plays a fundamental role replication and promising drug target; however, no protease inhi...

Journal: :Vietnam Journal of Science, Technology and Engineering 2023

Isoflavones are secondary phenolic metabolites found in most legumes. These compounds have important pharmacological significance such as anti-osteoporosis, anti-aging, and anti-cancer properties. Breast cancer is one of the common cancers women worldwide. Human epidermal growth factor receptor-2 (HER2) an target breast treatment. In this study, we evaluated ability sixty isoflavones to inhibit...

Journal: :Jurnal Tumbuhan Obat Indonesia (The Journal of Indonesian Medicinal Plant) 2022

Neuroinflamasi dapat menyebabkan Parkinson Disease (PD), dengan salah satu mekanismenya adalah aktivasi berlebih toll-like receptor 2 (TLR2) akibat abnormalitas dan agregasi α-synuclein. Pada penelitian sebelumnya, daun semanggi (Marsilea crenata Presl.) terbukti menghambat progresivitas neuroinflamasi melalui jalur estrogen-receptor (ER) dependent. Penelitian ini bertujuan untuk memprediksi ef...

Journal: :Tropical Journal of Pharmaceutical Research 2022

Purpose: To synthesize chloro-pyrazolines (A–D), determine their antimalarial activity against Plasmodium falciparum strain 3D7 in vitro, and understand the interaction between falcipain-2 active sites synthesized compounds by molecular docking simulation.Methods: Chloro-pyrazolines (A–D) were via cyclo-condensation of 4-chloro chalcone derivatives using several types hydrazines, i.e., formylhy...

Journal: :Jurnal Sains dan Kesehatan 2023

Hipertensi merupakan salah satu masalah kesehatan terbesar yang menjadi penyebab utama kematian di seluruh dunia. Angiotensin converting enzyme inhibitor (ACE-I) sebagai obat antihipertensi umum diketahui memiliki efek samping sering dikeluhkan. Penelitian ini bertujuan untuk mengidentifikasi senyawa potensial berasal dari pala (Myristica fragrans) dengan menggunakan studi penambatan molekular....

Journal: :Jurnal Jeumpa 2023

Coumestrol adalah senyawa metabolit sekunder kelompok flavonoid yang ditemukan dalam berbagai tanaman seperti kedelai, kacang-kacangan, brokoli, dan bunga-bungaan. Senyawa tersebut memiliki bioaktivitas sebagai anti inflamasi, antioksidan, serta aktivitas estrogenik dapat membantu mengurangi risiko kanker payudara. Penelitian ini bertujuan untuk mensimulasikan interaksi coumestrol dengan target...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تبریز - دانشکده علوم پایه 1393

نانولوله های کربنی به دلیل ساختار های ویژه نانومتریک و منحصر به فردشان که در آن اتمهای کربن بصورت منظم و یکنواخت آرایش یافته اند، دارای کاربردهای زیادی در پزشکی و نانو مدیسین از جمله انتقال دارو، انتقال ژن، درمان و انهدام سلولهای سرطانی دارند. اما داشتن سطوح هیدروفوبیکی و توکسیک بودن آنها برای سیستم های زنده کاربرد نانولوله های کربنی را با چالش اساسی مواجه کرده است. در این پایان نامه اتصال و حل...

Journal: :Scientia Pharmaceutica 2023

Carnosol is a natural diterpene present in Rosmarinus officinalis L. (rosemary) with anti-tumor and anti-inflammatory properties. Despite its importance, the pharmacological mechanisms underlying interactions between carnosol human targets are still unclear. The goal was to identify plausible target for network pharmacology. Rosemary analyzed using HPLC-QTOF-MS/MS. Potential were identified doc...

Journal: :GSC biological and pharmaceutical sciences 2022

Since the identification of COVID-19 in China December 2019, scientists and researchers have been continuously discovering proposing drugs for this disease. Many efforts made to examine medicinal plants known their benefits treating infectious diseases actions boosting immune system. Repurposing FDA-approved antiviral has also advanced. However, no effective drug specific is currently available...

Journal: :Microbiology research 2023

Biomolecules of marine origin have many applications in the field biotechnology and medicine, but still hold great potential as bioactive substances against different diseases. The purification or total synthesis metabolites is expensive, requires a reliable selection method to reveal their pharmaceutical prior clinical validation. This study aimed explore hidden natural products from gorgonian...

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