Zika virus drug targets: a missing link in drug design and discovery – a route map to fill the gap

RSC Advances ◽  
2016 ◽  
Vol 6 (73) ◽  
pp. 68719-68731 ◽  
Author(s):  
Pritika Ramharack ◽  
Mahmoud E. S. Soliman
Keyword(s):  
Drug Discovery ◽  
Drug Design ◽  
Viral Replication ◽  
Zika Virus ◽  
In Silico ◽  
Drug Targets ◽  
Missing Link ◽  
Potential Inhibitors

This review depicts anin silicoroute map for ZIKV drug discovery, thus revealing novel potential inhibitors of viral replication.

Phytochemicals for drug discovery in Alzheimer’s disease: In silico Advances

2020 ◽  
Vol 26 ◽  
Author(s):  
Smriti Sharma ◽  
Vinayak Bhatia
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Drug Design ◽  
In Silico ◽  
Drug Targets ◽  
Development Process ◽  
Phytochemical Analysis ◽  
Computational Drug Design ◽  
Novel Drugs ◽  
Game Changer

: The search for novel drugs that can prevent or control Alzheimer’s disease has attracted lot of attention from researchers across the globe. Phytochemicals are increasingly being used to provide scaffolds to design drugs for AD. In silico techniques, have proven to be a game-changer in this drug design and development process. In this review, the authors have focussed on current advances in the field of in silico medicine, applied to phytochemicals, to discover novel drugs to prevent or cure AD. After giving a brief context of the etiology and available drug targets for AD, authors have discussed the latest advances and techniques in computational drug design of AD from phytochemicals. Some of the prototypical studies in this area are discussed in detail. In silico phytochemical analysis is a tool of choice for researchers all across the globe and helps integrate chemical biology with drug design.

scholarly journals Re-Designing Hazardous Chemicals with Target-Specific Toxicities by Learning from Structure-Based Drug Design

2018 ◽  
Author(s):  
Traci Clymer ◽  
Vanessa Vargas ◽  
Eric Corcoran ◽  
Robin Kleinberg ◽  
Jakub Kostal
Keyword(s):  
Drug Discovery ◽  
Drug Design ◽  
Adverse Effects ◽  
Environmental Health ◽  
In Silico ◽  
Adverse Outcomes ◽  
Design Stage ◽  
Hazardous Chemicals ◽  
Structure Based Drug Design ◽  
Computational Drug Discovery

Chemicals are the basis of our society and economy, yet many existing chemicals are known to have unintended adverse effects on human and environmental health. Testing all existing and new chemicals on animals is both economically and ethically unfeasible. In this paper, a new in silico framework is presented that affords redesign of existing hazardous chemicals in commerce based on specific molecular initiating events in their adverse outcomes pathways. Our approach is based on a successful methodology implemented in computational drug discovery, and promises to dramatically lower costs associated with new chemical development by synergistically addressing chemical function and safety at the design stage. <br>

In silico approaches to Zika virus drug discovery

2018 ◽  
Vol 13 (9) ◽  
pp. 825-835 ◽  
Author(s):  
Alessandro Sinigaglia ◽  
Silvia Riccetti ◽  
Marta Trevisan ◽  
Luisa Barzon
Keyword(s):  
Drug Discovery ◽  
Zika Virus ◽  
In Silico

scholarly journals Advances toward structure-based drug discovery for inflammasome targets

2021 ◽  
Vol 219 (1) ◽  
Author(s):  
Li Wang ◽  
Michael A. Crackower ◽  
Hao Wu
Keyword(s):  
Drug Discovery ◽  
High Resolution ◽  
Drug Design ◽  
Structural Biology ◽  
Drug Targets ◽  
Unmet Need ◽  
Structure Based Drug Design ◽  
Important Family ◽  
Recent Advances

Inflammasome proteins play an important role in many diseases of high unmet need, making them attractive drug targets. However, drug discovery for inflammasome proteins has been challenging in part due to the difficulty in solving high-resolution structures using cryo-EM or crystallography. Recent advances in the structural biology of NLRP3 and NLRP1 have provided the first set of data that proves a promise for structure-based drug design for this important family of targets.

scholarly journals Drugging Fuzzy Complexes in Transcription

2021 ◽  
Vol 8 ◽  
Author(s):  
Bonnie G. Su ◽  
Matthew J. Henley
Keyword(s):  
Transcription Factor ◽  
Transcription Factors ◽  
Drug Discovery ◽  
Drug Design ◽  
Drug Targets ◽  
Chemical Biology ◽  
Intrinsic Disorder ◽  
High Degree ◽  
Screening Approaches

Transcription factors (TFs) are one of the most promising but underutilized classes of drug targets. The high degree of intrinsic disorder in both the structure and the interactions (i.e., “fuzziness”) of TFs is one of the most important challenges to be addressed in this context. Here, we discuss the impacts of fuzziness on transcription factor drug discovery, describing how disorder poses fundamental problems to the typical drug design, and screening approaches used for other classes of proteins such as receptors or enzymes. We then speculate on ways modern biophysical and chemical biology approaches could synergize to overcome many of these challenges by directly addressing the challenges imposed by TF disorder and fuzziness.

Antimalarial Drug Discovery: In Silico Structural Biology and Rational Drug Design

2009 ◽  
Vol 9 (3) ◽  
pp. 304-318 ◽  
Author(s):  
TAP de Beer ◽  
GA Wells ◽  
PB Burger ◽  
F. Joubert ◽  
E. Marechal ◽  
...  
Keyword(s):  
Drug Discovery ◽  
Drug Design ◽  
Structural Biology ◽  
Antimalarial Drug ◽  
In Silico ◽  
Rational Drug Design ◽  
Rational Drug
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