Results 41 to 50 of about 4,190,416 (396)
Frontiers in Molecular Biosciences, 2022 The spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has become a pandemic due to the high transmission and mortality rate of this virus.
Suvro Biswas +10 more
semanticscholar +1 more source
Molecular Docking: Shifting Paradigms in Drug Discovery
International Journal of Molecular Sciences, 2019 Molecular docking is an established in silico structure-based method widely used in drug discovery. Docking enables the identification of novel compounds of therapeutic interest, predicting ligand-target interactions at a molecular level, or delineating ...
Luca Pinzi, G. Rastelli
semanticscholar +1 more source
Drug Design, Development and Therapy, 2021 Background Huai Hua San (HHS), a famous Traditional Chinese Medicine (TCM) formula, has been widely applied in treating ulcerative colitis (UC). However, the interaction of bioactives from HHS with the targets involved in UC has not been elucidated yet ...
Jiaqin Liu +8 more
semanticscholar +1 more source
Molecular Docking of Compounds From Chaetomium SP. Against Human Estrogen Receptor Alpha in Searching Anti Breast Cancer [PDF]
, 2016 A study on molecular docking-based virtual screening has been conducted to select virtual hit of compounds, reported its existence in fungal endophytes of Chaetomium sp. as cytotoxic agent of breast cancer.
Hariono, M. (Maywan) +1 more
core +1 more source
Whey-derived peptides interactions with ACE by molecular docking as a potential predictive tool of natural ACE inhibitors [PDF]
, 2020 Several milk/whey derived peptides possess high in vitro angiotensin I-converting enzyme (ACE) inhibitory activity. However, in some cases, poor correlation between the in vitro ACE inhibitory activity and the in vivo antihypertensive activity has been ...
Chamata, Yara +2 more
core +1 more source
Current Microbiology, 2022 D614G is one of the most reported mutations in the spike protein of SARS-COV-2 that has altered some crucial characteristics of coronaviruses, such as rate of infection and binding affinities.
Alireza Poustforoosh +7 more
semanticscholar +1 more source
Journal of Molecular Docking, 2021 Spirostans (SPs) are chemical products widely distributed in the plant kingdom; currently, they are studied by their medical applications. Cancer has a high incidence in humans; it reaches second place worldwide deaths.
Guiee Niza Lopez-Castillo +4 more
doaj +1 more source
Receptor–ligand molecular docking [PDF]
Biophysical Reviews, 2013 Docking methodology aims to predict the experimental binding modes and affinities of small molecules within the binding site of particular receptor targets and is currently used as a standard computational tool in drug design for lead compound optimisation and in virtual screening studies to find novel biologically active molecules.
Laurent E. Dardenne +2 more
openaire +3 more sources
, 2020 COVID-19, a new strain of coronavirus (CoV), was identified in Wuhan, China, in 2019. No specific therapies are available and investigations regarding COVID-19 treatment are lacking. Liu et al. (2020) successfully crystallised the COVID-19 main protease (
Siti Khaerunnisa +4 more
semanticscholar +1 more source
Cover, Content, and Editorial Note from J Mol Docking Vol. 1 No. 1 June 2021
Journal of Molecular Docking, 2021 Assalamu’alaikum Wr. Wb. Alhamdulillahirabbil ‘alamin. After a long wait for almost 1 year from the first planned, finally, the new scientific journal of the Department of Pharmacy Universitas Muhammadiyah Palangkaraya can be published.
Chief Editor of J Mol Docking
doaj +1 more source