Computational methods used in phytocompound-based drug discovery

HR Rallabandi, M Mekapogu, K Natesan… - Plant-derived Bioactives …, 2020 - Springer
Phytocompounds are gaining popularity, due to lesser toxicity, greater bioavailability and
high chemodiversity. Phytocompounds are evolving as new leads for the development of a …

An efficient ABC_DE_based hybrid algorithm for protein–ligand docking

B Guan, C Zhang, Y Zhao - International journal of molecular sciences, 2018 - mdpi.com
Protein–ligand docking is a process of searching for the optimal binding conformation
between the receptor and the ligand. Automated docking plays an important role in drug …

Old Arsenal to Combat New Enemy: Repurposing of Commercially available FDA Approved drugs against Main Protease of SARS-CoV2.

G Singh, R Mishra, G Goel, T Chaudhuri - 2020 - chemrxiv.org
In lack of vaccination and therapeutic drugs, the ongoing COVID-19 pandemic affected
millions of people, causing 1,018,957 deaths worldwide (World health organization; 1st …

Docking, Scoring, and Virtual Screening in Drug Discovery

F Spyrakis, A Sarkar, GE Kellogg - … Medicinal Chemistry and …, 2003 - Wiley Online Library
Since its introduction about four decades ago, docking and scoring are now the very heart of
structure‐based drug design. The past 10–20 years have seen a plethora of docking and …

Drug Repurposing and High-throughput screening against Phosphomannomutase for the treatment of Cutaneous Leishmaniasis

M Nasibullah, SY Sheikh, F Hassan, MF Khan… - 2022 - researchsquare.com
Cutaneous leishmaniasis (CL) is caused by the protozoan parasite L. maxicana is one of the
major parasitic diseases throughout the world. Due to the lack of approved vaccines against …

[引用][C] Development of an efficient molecular docking strategy for the prediction of interaction of COX-2 inhibitors with binding site of enzyme

S Shamsian - 2022 - Tabriz University of Medical …

[引用][C] توسعه یک استراتژی داکینگ مولکولی کارآمد برای پیش بینی نحوه برهمکنش ترکیبات مهارکننده COX-2 با جایگاه اتصال آنزیم

شمسیان‎ - دانشگاه علوم پزشکی تبریز، دانشکده …