Molecular Docking Simulation Studies, Toxicity Study, Bioactivity Prediction, and Structure-Activity Relationship Reveals Rutin as a Potential Inhibitor of SARS-CoV-2 3CL pro

Toxicity Study ◽

Activity Relationship ◽

Simulation Studies ◽

Potential Inhibitor ◽

Bioactivity Prediction ◽

Substituted indolin-2-ones as p90 ribosomal S6 protein kinase 2 (RSK2) inhibitors: Molecular docking simulation and structure–activity relationship analysis

Bioorganic & Medicinal Chemistry ◽

10.1016/j.bmc.2013.01.047 ◽

2013 ◽

Vol 21 (7) ◽

pp. 1724-1734 ◽

Cited By ~ 17

Author(s):

Ye Zhong ◽

Mengzhu Xue ◽

Xue Zhao ◽

Jun Yuan ◽

Xiaofeng Liu ◽

...

Keyword(s):

Molecular Docking ◽

Protein Kinase ◽

Docking Simulation ◽

Activity Relationship ◽

Relationship Analysis ◽

Quantitative Structure–Activity Relationship Model, Molecular Docking Simulation and Computational Design of Some Novel Compounds Against DNA Gyrase Receptor

Chemistry Africa ◽

10.1007/s42250-020-00132-9 ◽

2020 ◽

Vol 3 (2) ◽

pp. 391-408 ◽

Cited By ~ 6

Author(s):

Shola Elijah Adeniji ◽

David Ebuka Arthur ◽

Mustapha Abdullahi ◽

Abdurrashid Haruna

Keyword(s):

Molecular Docking ◽

Docking Simulation ◽

Dna Gyrase ◽

Computational Design ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Relationship Model

In vitro α-Glucosidase Inhibition by Non-sugar based Triazoles of Dibenzoazepine, their Structure-Activity Relationship, and Molecular Docking

Medicinal Chemistry ◽

10.2174/1573406413666170726142949 ◽

2017 ◽

Vol 13 (7) ◽

Author(s):

Maria A. Khan ◽

Kulsoom Javaid ◽

Abdul Wadood ◽

Alam Jamal ◽

Farhana Batool ◽

...

Keyword(s):

Molecular Docking ◽

Activity Relationship ◽

The Discovery of Novel Histone Lysine Methyltransferase G9a Inhibitors (Part 1): Molecular Design Based on a Series of Substituted 2,4-Diamino-7- aminoalkoxyquinazoline by Molecular-Docking-Guided 3D Quantitative Structure-Activity Relationship Studies

Medicinal Chemistry ◽

10.2174/15734064113096660068 ◽

2014 ◽

Vol 10 (4) ◽

pp. 426-440 ◽

Cited By ~ 3

Author(s):

Taotao Feng ◽

Hai Wang ◽

Xiaojin Zhang ◽

Haopeng Sun ◽

Qidong You

Keyword(s):

Molecular Docking ◽

Molecular Design ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Histone Lysine ◽

Histone Lysine Methyltransferase ◽

Lysine Methyltransferase

New substituted pyrazolones and dipyrazolotriazines as promising tyrosyl-tRNA synthetase and peroxiredoxin-5 inhibitors: Design, synthesis, molecular docking and structure-activity relationship (SAR) analysis

Bioorganic Chemistry ◽

10.1016/j.bioorg.2021.104704 ◽

2021 ◽

Vol 109 ◽

pp. 104704

Author(s):

Ismail M.M. Othman ◽

Mohamed A.M. Gad-Elkareem ◽

El Hassane Anouar ◽

Kaïss Aouadi ◽

Mejdi Snoussi ◽

...

Keyword(s):

Molecular Docking ◽

Trna Synthetase ◽

Activity Relationship ◽

Design Synthesis ◽

Structure Activity ◽

Sar Analysis

Quantitative structure-activity relationship and molecular docking studies of some series of imidazole derivatives as anti-hepatitis C drug

Bayero Journal of Pure and Applied Sciences ◽

10.4314/bajopas.v11i2.8 ◽

2019 ◽

Vol 11 (2) ◽

pp. 57

Author(s):

A.S. Bello ◽

A Uzairu ◽

G.A. Shallangwa ◽

A Ibrahim ◽

Y.A. Gatugel

Keyword(s):

Molecular Docking ◽

Hepatitis C ◽

Docking Studies ◽

Activity Relationship ◽

Quantitative Structure ◽

Molecular Docking Studies ◽

Imidazole Derivatives ◽

Novel Pyrazole-4-acetohydrazide Derivatives Potentially Targeting Fungal Succinate Dehydrogenase: Design, Synthesis, Three-Dimensional Quantitative Structure–Activity Relationship, and Molecular Docking

Journal of Agricultural and Food Chemistry ◽

10.1021/acs.jafc.1c03399 ◽

2021 ◽

Author(s):

Xiaobin Wang ◽

Mengqi Wang ◽

Ling Han ◽

Fei Jin ◽

Jian Jiao ◽

...

Keyword(s):

Molecular Docking ◽

Succinate Dehydrogenase ◽

Three Dimensional ◽

Activity Relationship ◽

Quantitative Structure ◽

Design Synthesis ◽

Anticancer activities, molecular docking and structure–activity relationship of novel synthesized 4H-chromene, and 5H-chromeno[2,3-d]pyrimidine candidates

Medicinal Chemistry Research ◽

10.1007/s00044-017-1961-3 ◽

2017 ◽

Vol 26 (10) ◽

pp. 2624-2638 ◽

Cited By ~ 10

Author(s):

Ahmed H. Halawa ◽

Mahmoud M. Elaasser ◽

Ahmed M. El Kerdawy ◽

Ahmed M. A. I. Abd El-Hady ◽

Hassein A. Emam ◽

...

Keyword(s):

Molecular Docking ◽

Activity Relationship ◽

Anticancer Activities ◽

Structure Activity ◽

Relationship Of

nSynthesis and characterization of 1-amidino-O-alkylureas metal complexes as α- glucosidase Inhibitors: Structure-activity relationship, molecular docking, and kinetic studies

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131726 ◽

2021 ◽

pp. 131726

Author(s):

Firouz Matloubi Moghaddam ◽

Maryam Daneshfar ◽

Zahra Daneshfar ◽

Aida Iraji ◽

Atefe Samandari-Najafabad ◽

...

Keyword(s):

Molecular Docking ◽

Metal Complexes ◽

Kinetic Studies ◽

Activity Relationship ◽

Structure Activity ◽

Glucosidase Inhibitors

Discovery of Indonesian natural products as potential inhibitor of Ebola virus VP40 through molecular docking simulation

10.1063/1.5064052 ◽

2018 ◽

Author(s):

M. A. F. Nasution ◽

A. H. Alkaff ◽

U. S. F. Tambunan

Keyword(s):

Natural Products ◽

Molecular Docking ◽

Ebola Virus ◽

Docking Simulation ◽

Potential Inhibitor