Step‐by‐step design of proteins for small molecule interaction: a review on recent milestones

2021 ◽  
Author(s):  
José M. Pereira ◽  
Maria Vieira ◽  
Sérgio M. Santos
Keyword(s):  
Small Molecule ◽  
Molecule Interaction

scholarly journals BirdsAnts: A protein-small molecule interaction viewer

2006 ◽  
Vol 6 (1) ◽  
pp. 17-28
Author(s):  
Motoi Tobita ◽  
Ken Horiuchi ◽  
Kenji Araki ◽  
Masashi Nemoto ◽  
Hiroyasu Shimada ◽  
...  
Keyword(s):  
Small Molecule ◽  
Molecule Interaction

Love–Hate ligands for high resolution analysis of strain in ultra-stable protein/small molecule interaction

2014 ◽  
Vol 22 (19) ◽  
pp. 5476-5486 ◽  
Author(s):  
Michael Fairhead ◽  
Di Shen ◽  
Louis K.M. Chan ◽  
Ed D. Lowe ◽  
Timothy J. Donohoe ◽  
...  
Keyword(s):  
High Resolution ◽  
Small Molecule ◽  
High Resolution Analysis ◽  
Resolution Analysis ◽  
Molecule Interaction

Abeta peptide-small molecule interaction studies as a tool for the development of new anti-Alzheimer's drugs

2010 ◽  
Vol 150 ◽  
pp. 191-191
Author(s):  
C. Airoldi ◽  
E. Sironi ◽  
L. Colombo ◽  
C. Manzoni ◽  
M. Salmona ◽  
...  
Keyword(s):  
Small Molecule ◽  
Interaction Studies ◽  
Abeta Peptide ◽  
Molecule Interaction

Overview of Free Software Developed for Designing Drugs Based on Protein-Small Molecules Interaction

2018 ◽  
Vol 18 (13) ◽  
pp. 1146-1167 ◽  
Author(s):  
Piyush Agrawal ◽  
Pawan Kumar Raghav ◽  
Sherry Bhalla ◽  
Neelam Sharma ◽  
Gajendra P.S. Raghava
Keyword(s):  
Small Molecules ◽  
Small Molecule ◽  
Structure Prediction ◽  
Computational Tools ◽  
Pharmacophore Modelling ◽  
Drug Molecules ◽  
Software Packages ◽  
Binding Pockets ◽  
Major Emphasis ◽  
Molecule Interaction

One of the fundamental challenges in designing drug molecule against a disease target or protein is to predict binding affinity between target and drug or small molecule. In this review, our focus will be on advancement in the field of protein-small molecule interaction. This review has been divided into four major sections. In the first section, we will cover software developed for protein structure prediction. This will include prediction of binding pockets and post-translation modifications in proteins. In the second section, we will discuss software packages developed for predicting small-molecule interacting residues in a protein. Advances in the field of docking particularly advancement in the knowledgebased force fields will be discussed in the third part of the review. This section will also cover the method developed for predicting affinity between protein and drug molecules. The fourth section of the review will describe miscellaneous techniques used for designing drug molecules, like pharmacophore modelling. Our major emphasis in this review will be on computational tools that are available free for academic use.

scholarly journals Erratum: Small-molecule interaction with a five-guanine-tract G-quadruplex structure from the human MYC promoter

2005 ◽  
Vol 1 (4) ◽  
pp. 234-234 ◽  
Author(s):  
Anh Tuân Phan ◽  
Vitaly Kuryavyi ◽  
Hai Yan Gaw ◽  
Dinshaw J Patel
Keyword(s):  
Small Molecule ◽  
Quadruplex Structure ◽  
G Quadruplex ◽  
Molecule Interaction
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