scholarly journals Role of Pharmacokinetic and Transporter Studies in Drug Design.

1999 ◽  
Vol 47 (3) ◽  
pp. 97-109 ◽  
Author(s):  
Yuichi SUGIYAMA ◽  
Hiroshi SUZUKI ◽  
Kiyomi ITO
Keyword(s):  
Drug Design

scholarly journals Systematic review on role of structure based drug design (SBDD) in the identification of anti-viral leads against SARS-Cov-2

2021 ◽  
Vol 2 ◽  
pp. 100026
Author(s):  
Nilesh Gajanan Bajad ◽  
Swetha Rayala ◽  
Gopichand Gutti ◽  
Anjali Sharma ◽  
Meenakshi Singh ◽  
...  
Keyword(s):  
Systematic Review ◽  
Drug Design ◽  
Structure Based Drug Design

scholarly journals Bioavailability Through PepT1: The Role of Computer Modelling in Intelligent Drug Design

2010 ◽  
Vol 6 (1) ◽  
pp. 68-78 ◽  
Author(s):  
David Foley ◽  
Jeyaganesh Rajamanickam ◽  
Patrick Bailey ◽  
David Meredith
Keyword(s):  
Drug Design ◽  
Computer Modelling

scholarly journals Beyond Traditional Structure-Based Drug Design: The Role of Iron Complexation, Strain, and Water in the Binding of Inhibitors for Hypoxia-Inducible Factor Prolyl Hydroxylase 2

ACS Omega ◽  
2019 ◽  
Vol 4 (4) ◽  
pp. 6703-6708
Author(s):  
Scott D. Bembenek ◽  
Hariharan Venkatesan ◽  
Hillary M. Peltier ◽  
Mark D. Rosen ◽  
Terrance D. Barrett ◽  
...  
Keyword(s):  
Drug Design ◽  
Hypoxia Inducible Factor ◽  
Prolyl Hydroxylase ◽  
Structure Based Drug Design ◽  
Traditional Structure ◽  
Iron Complexation

Role of Molecular Docking in Computer-Aided Drug Design and Development

2016 ◽  
pp. 1-28
Author(s):  
Rahul Agarwal ◽  
Ashutosh Singh ◽  
Subhabrata Sen
Keyword(s):  
Molecular Docking ◽  
Drug Design ◽  
Protein Binding ◽  
Design And Development ◽  
Advantages And Disadvantages ◽  
Computer Aided ◽  
Drug Designing ◽  
Near Future

Molecular Docking is widely used in CADD (Computer-Aided Drug Designing), SBDD (Structure-Based Drug Designing) and LBDD (Ligand-Based Drug Designing). It is a method used to predict the binding orientation of one molecule with the other and used for any kind of molecule based on the interaction like, small drug molecule with its protein target, protein – protein binding or a DNA – protein binding. Docking is very much popular technique due to its reliable prediction properties. This book chapter will provide an overview of diverse docking methodologies present that are used in drug design and development. There will be discussion on several case studies, pertaining to each method, followed by advantages and disadvantages of the discussed methodology. It will typically aim professionals in the field of cheminformatics and bioinformatics, both in academia and in industry and aspiring scientists and students who want to take up this as a profession in the near future. We will conclude with our opinion on the effectiveness of this technology in the future of pharmaceutical industry.

The Expanding Role of NMR in Rational Drug Design

2004 ◽  
Vol 1 (1) ◽  
pp. 237-271
Author(s):  
Rickey P. Hicks ◽  
Daniel A. Nichols
Keyword(s):  
Drug Design ◽  
Rational Drug Design ◽  
Rational Drug

scholarly journals Dectin-1 Is A Major β-Glucan Receptor On Macrophages

2002 ◽  
Vol 196 (3) ◽  
pp. 407-412 ◽  
Author(s):  
Gordon D. Brown ◽  
Philip R. Taylor ◽  
Delyth M. Reid ◽  
Janet A. Willment ◽  
David L. Williams ◽  
...  
Keyword(s):  
Monoclonal Antibody ◽  
Drug Design ◽  
Mannose Receptor ◽  
Therapeutic Drug ◽  
Complement Receptor ◽  
Macrophage Mannose Receptor ◽  
Immunomodulatory Properties ◽  
Complement Receptor 3

Zymosan is a β-glucan– and mannan-rich particle that is widely used as a cellular activator for examining the numerous responses effected by phagocytes. The macrophage mannose receptor (MR) and complement receptor 3 (CR3) have historically been considered the major macrophage lectins involved in the nonopsonic recognition of these yeast-derived particles. Using specific carbohydrate inhibitors, we show that a β-glucan receptor, but not the MR, is a predominant receptor involved in this process. Furthermore, nonopsonic zymosan binding was unaffected by genetic CD11b deficiency or a blocking monoclonal antibody (mAb) against CR3, demonstrating that CR3 was not the β-glucan receptor mediating this activity. To address the role of the recently described β-glucan receptor, Dectin-1, we generated a novel anti–Dectin-1 mAb, 2A11. Using this mAb, we show here that Dectin-1 was almost exclusively responsible for the β-glucan–dependent, nonopsonic recognition of zymosan by primary macro-phages. These findings define Dectin-1 as the leukocyte β-glucan receptor, first described over 50 years ago, and resolves the long-standing controversy regarding the identity of this important molecule. Furthermore, these results identify Dectin-1 as a new target for examining the immunomodulatory properties of β-glucans for therapeutic drug design.

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