Results 241 to 250 of about 449,170 (361)

Computational screening of promising beta-secretase 1 inhibitors through multi-step molecular docking and molecular dynamics simulations - Pharmacoinformatics approach [PDF]

, 2019
Shruti Gupta, D. Parihar, Mokshada Shah, Shivali Yadav, Husain Managori, Shovonlal Bhowmick, Preeti Chunarkar Patil, Siham A. Alissa, Saikh Mohammad Wabaidur, Md Ataul Islam   +9 more
openalex   +1 more source

Rational approach toward COVID-19 main protease inhibitors via molecular docking, molecular dynamics simulation and free energy calculation [PDF]

, 2020
Seketoulie Keretsu, Swapnil P. Bhujbal, Seung Joo Cho   +2 more
openalex   +1 more source

LncRNA Foxo6os as a Novel “ Scaffold” Mediates MYBPC3 in Combating Pathological Cardiac Hypertrophy and Heart Failure

Advanced Science, EarlyView.
Schematic overview showing that forkhead box O6, opposite strand (Foxo6os) acts as a “scaffold”, directly binding myosin‐binding protein‐C (MYBPC3) and recruiting protein kinase C (PKC‐α) to mediate site‐specific phosphorylation of MYBPC3. This post‐translational modification supports cardiac contraction by regulating L‐type Ca2+ channels, especially ...
Jie Sheng, Qin Lin, Yizhuo Sun, Yilei Meng, Sangyu Hu, Huaming Cao, Fang Lin, Yuping Zhu, Luying Peng, Li Li   +9 more
wiley   +1 more source

Versatile properties of Opuntia ficus-indica (L.) Mill. flowers: In vitro exploration of antioxidant, antimicrobial, and anticancer activities, network pharmacology analysis, and In-silico molecular docking simulation. [PDF]

PLoS One
Mwaheb MA, Reda NM, El-Wetidy MS, Sheded AH, Al-Otibi F, Al-Hamoud GA, Said MA, Aidy EA.   +7 more
europepmc   +1 more source

Can human allergy drug fexofenadine, an antagonist of histamine (H1) receptor, be used to treat dog and cat? Homology modeling, docking and molecular dynamic Simulation of three H1 receptors in complex with fexofenadine

, 2017
Safaa Sader, Jun Cai, Anna C.G. Muller, Chun Wu   +3 more
openalex   +2 more sources

Molecular Docking Simulations on Histone Deacetylases (HDAC)-1 and -2 to Investigate the Flavone Binding [PDF]

, 2020
Bernardina Scafuri, Paola Bontempo, Lucia Altucci, Luigi De Masi, Angelo Facchiano   +4 more
openalex   +1 more source

A Refined Adaptive Laboratory Evolution Strategy With Biosensor‐Assisted Selection Resolves the Tolerance–Efficiency Trade‐Off in Toxic Chemical Biosynthesis

Advanced Science, EarlyView.
This study presents a refined adaptive laboratory evolution (ALE) strategy to resolve the trade‐off between tolerance and biosynthetic efficiency in toxic chemical production. Combining in vivo mutagenesis, microdroplet‐based evolution, and biosensor‐assisted selection, this strategy rapidly yields robust “win‐win” phenotypes.
Yufei Zhang, Junhua Yun, Guoyan Zhang, Hossain M. Zabed, Yuehui Tian, Xinrui Tang, Jia Li, Xianghui Qi   +7 more
wiley   +1 more source

The Antioxidant Mechanism of Peptides Extracted from Tuna Protein Revealed Using a Molecular Docking Simulation. [PDF]

Antioxidants (Basel)
Guo X, Liu J, Wang C, Wen Z, Zheng B.
europepmc   +1 more source

Investigating the potential antiviral activity drugs against SARS-CoV-2 by molecular docking simulation. [PDF]

J Mol Liq, 2020
El-Hoshoudy AN.
europepmc   +1 more source

Identification of Phytochemicals Targeting c-Met Kinase Domain using Consensus Docking and Molecular Dynamics Simulation Studies

, 2017
Shima Aliebrahimi, Shideh Montasser Kouhsari, Seyed Nasser Ostad, Seyed Shahriar Arab, Leila Karami   +4 more
openalex   +2 more sources