Exploration of molecular docking and dynamic simulation studies to identify the potential of CID 50906864 as a potential anti-angiogenic molecule

Pharmacophore Mapping of Ligand Based Virtual Screening, Molecular Docking and Molecular Dynamic Simulation Studies for Finding Potent NS2B/NS3 Protease Inhibitors as Potential Anti-dengue Drug Compounds

Current Bioinformatics ◽

10.2174/1574893613666180118105659 ◽

2018 ◽

Vol 13 (6) ◽

pp. 606-616 ◽

Cited By ~ 8

Author(s):

A. Jainul Fathima ◽

G. Murugaboopathi ◽

P. Selvam

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Protease Inhibitors ◽

Dynamic Simulation ◽

Simulation Studies ◽

Pharmacophore Mapping ◽

Ns3 Protease Inhibitors ◽

Drug Compounds ◽

Ns3 Protease

Identification of novel small molecule inhibitors for endoplasmic reticulum oxidoreductase 1α (ERO1α) enzyme: structure-based molecular docking and molecular dynamic simulation studies

10.1080/07391102.2021.1984308 ◽

2021 ◽

pp. 1-15

Author(s):

Hussam Albassam ◽

Chetan H. Mehta ◽

Usha Y. Nayak

Keyword(s):

Endoplasmic Reticulum ◽

Molecular Docking ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Small Molecule ◽

Small Molecule Inhibitors ◽

Enzyme Structure ◽

Simulation Studies

Spectroscopic, molecular docking and molecular dynamic simulation studies on the complexes of β-lactoglobulin, safranal and oleuropein

International Journal of Biological Macromolecules ◽

10.1016/j.ijbiomac.2020.10.139 ◽

2020 ◽

Vol 165 ◽

pp. 2326-2337

Author(s):

Shohreh Vanaei ◽

Mohammad Salemizadeh Parizi ◽

Saeed Abdolhosseini ◽

Iman Katouzian

Keyword(s):

Molecular Docking ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Studies ◽

Β Lactoglobulin

Synthesis, molecular docking and molecular dynamic simulation studies of 2-chloro-5-[(4-chlorophenyl)sulfamoyl]-N-(alkyl/aryl)-4-nitrobenzamide derivatives as antidiabetic agents

BMC Chemistry ◽

10.1186/s13065-020-00703-4 ◽

2020 ◽

Vol 14 (1) ◽

Author(s):

Samridhi Thakral ◽

Rakesh Narang ◽

Manoj Kumar ◽

Vikramjeet Singh

Keyword(s):

Molecular Docking ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Studies ◽

Alkyl Aryl ◽

Antidiabetic Agents

Strategic analyses to identify key structural features of antiviral/antimalarial compounds for their binding interactions with 3CLpro, PLpro and RdRp of SARS-CoV-2: in silico molecular docking and dynamic simulation studies

10.1080/07391102.2021.1965912 ◽

2021 ◽

pp. 1-18

Author(s):

Ashish M. Dhote ◽

Vikas R. Patil ◽

Deepak K. Lokwani ◽

Nikhil D. Amnerkar ◽

Vinod G. Ugale ◽

...

Keyword(s):

Molecular Docking ◽

Dynamic Simulation ◽

In Silico ◽

Structural Features ◽

Simulation Studies ◽

Binding Interactions ◽

In Silico Molecular Docking ◽

Antimalarial Compounds

Chemical composition/pharmacophore modelling- based, virtual screening, molecular docking and dynamic simulation studies for the discovery of novel superoxide dismutase (SODs) of bioactive molecules from aerial parts of Inula Montana as antioxydant’s agents

10.1080/07391102.2021.1971563 ◽

2021 ◽

pp. 1-22

Author(s):

Radja Achiri ◽

Mesli Fouzia ◽

Fatima Zohra Benomari ◽

Nassim Djabou ◽

Tabti Boufeldja ◽

...

Keyword(s):

Superoxide Dismutase ◽

Molecular Docking ◽

Chemical Composition ◽

Virtual Screening ◽

Dynamic Simulation ◽

Bioactive Molecules ◽

Simulation Studies ◽

Pharmacophore Modelling ◽

Aerial Parts

Fluorescence spectroscopy, molecular docking and molecular dynamic simulation studies of HSA-Aflatoxin B1 and G1 interactions

Journal of Luminescence ◽

10.1016/j.jlumin.2018.05.066 ◽

2018 ◽

Vol 202 ◽

pp. 345-353 ◽

Cited By ~ 21

Author(s):

Mohammad Bagheri ◽

Mohammad Hossein Fatemi

Keyword(s):

Molecular Docking ◽

Fluorescence Spectroscopy ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Aflatoxin B1 ◽

Simulation Studies

Molecular docking and dynamic simulation studies for antiretroviral activity of phytochemicals isolated from <em>Croton dichogamus</em>

10.3390/ecmc2021-11387 ◽

2021 ◽

Author(s):

Ermias Mergia Terefe ◽

Faith Okalebo ◽

Solomon Deresse ◽

Joseph Muriuki

Keyword(s):

Molecular Docking ◽

Dynamic Simulation ◽

Simulation Studies ◽

Antiretroviral Activity

Molecular docking and dynamic simulation studies evidenced plausible immunotherapeutic anticancer property by Withaferin A targeting indoleamine 2,3-dioxygenase

10.1080/07391102.2015.1004834 ◽

2015 ◽

Vol 33 (12) ◽

pp. 2695-2709 ◽

Cited By ~ 24

Author(s):

S.V.G. Reddy ◽

K. Thammi Reddy ◽

V. Valli Kumari ◽

Syed Hussain Basha

Keyword(s):

Molecular Docking ◽

Dynamic Simulation ◽

Withaferin A ◽

Simulation Studies ◽

Indoleamine 2,3 Dioxygenase