main protease

Dual inhibition of SARS-CoV-2 spike and main protease through a repurposed drug, rutin

Identification of potential SARS-CoV-2 M pro inhibitors integrating molecular docking and water thermodynamics

분자 도킹과 물 열역학을 통합하는 잠재적인 SARS-CoV-2 M pro 억제제 식별

Multi-Step In Silico Discovery of Natural Drugs against COVID-19 Targeting Main Protease

주요 프로테아제를 표적으로 하는 COVID-19에 대한 천연 약물의 다중 단계 In Silico 발견

Comprehensive fitness landscape of SARS-CoV-2 M pro reveals insights into viral resistance mechanisms

SARS-CoV-2 M pro의 종합적인 피트니스 환경은 바이러스 저항 메커니즘에 대한 통찰력을 보여줍니다

Design, synthesis and docking study of Vortioxetine derivatives as a SARS-CoV-2 main protease inhibitor

SARS-CoV-2 주요 프로테아제 억제제로서의 보티옥세틴 유도체의 설계, 합성 및 도킹 연구

Natural metabolites from the soft coral Nephthea sp. as potential SARS-CoV-2 main protease inhibitors

New insights into the catalytic mechanism of the SARS-CoV-2 main protease: an ONIOM QM/MM approach

SARS-CoV-2 주요 프로테아제의 촉매 메커니즘에 대한 새로운 통찰력: ONIOM QM/MM 접근법

Perspectives on the design and discovery of α-ketoamide inhibitors for the treatment of novel coronavirus: where do we stand and where do we go?

Repurposing the natural compounds as potential therapeutic agents for COVID-19 based on the molecular docking study of the main protease and the receptor-binding domain of spike protein

주요 프로테아제 및 스파이크 단백질의 수용체 결합 도메인에 대한 분자 도킹 연구를 기반으로 천연 화합물을 COVID-19의 잠재적 치료제로 용도 변경

Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential inhibitors