Homology Modeling and Molecular Drug Design Approach in Identifying Drug Targets of TIGR4 in Streptococcus pneumonia

2014 ◽  
Vol 11 (2) ◽  
pp. 517-522
Author(s):  
Balasankar Karavadi ◽  
M. Xavier Suresh
Keyword(s):  
Drug Design ◽  
Homology Modeling ◽  
Drug Targets ◽  
Design Approach ◽  
Streptococcus Pneumonia

Recent Advances towards Drug Design Targeting the Protease of 2019 novel coronavirus (2019-nCoV)

2020 ◽  
Vol 27 ◽  
Author(s):  
Sehrish Bano ◽  
Abdul Hameed ◽  
Mariya Al-Rashida ◽  
Shafia Iftikhar ◽  
Jamshed Iqbal
Keyword(s):  
Drug Design ◽  
Rna Polymerase ◽  
Drug Targets ◽  
Antiviral Agents ◽  
Structural Features ◽  
Antiviral Drugs ◽  
Rna Dependent Rna Polymerase ◽  
Mortality And Morbidity ◽  
Functional Relationships ◽  
Novel Coronavirus

Background: The 2019 novel coronavirus (2019-nCoV), also known as coronavirus 2 (SARS-CoV-2) acute respiratory syndrome has recently emerged and continued to spread rapidly with high level of mortality and morbidity rates. Currently, no efficacious therapy is available to relieve coronavirus infections. As new drug design and development takes much time, there is a possibility to find an effective treatment from existing antiviral agents. Objective: In this case, there is a need to find out the relationship between possible drug targets and mechanism of action of antiviral drugs. This review discusses about the efforts to develop drug from known or new molecules. Methods: Viruses usually have two structural integrities, proteins and nucleic acids, both of which can be possible drug targets. Herein, we systemically discuss the structural-functional relationships of the spike, 3-chymotrypsin-like protease (3CLpro), papain like protease (PLpro) and RNA-dependent RNA polymerase (RdRp), as these are prominent structural features of corona virus. Certain antiviral drugs such as Remdesivir are RNA dependent RNA polymerase inhibitor. It has the ability to terminate RNA replication by inhibiting ATP. Results: It is reported that ATP is involved in synthesis of coronavirus non-structural proteins from 3CLpro and PLpro. Similarly, mechanisms of action of many other antiviral agents has been discussed in this review. It will provide new insights into the mechanism of inhibition, and let us develop new therapeutic antiviral approaches against novel SARS-CoV-2 coronavirus. Conclusion: In conclusion, this review summarizes recent progress in developing protease inhibitors for SARS-CoV-2.

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.

A computational study on cannabinoid receptors and potent bioactive cannabinoid ligands: homology modeling, docking, de novo drug design and molecular dynamics analysis

2009 ◽  
Vol 14 (2) ◽  
pp. 257-276 ◽  
Author(s):  
Serdar Durdagi ◽  
Manthos G. Papadopoulos ◽  
Panagiotis G. Zoumpoulakis ◽  
Catherine Koukoulitsa ◽  
Thomas Mavromoustakos
Keyword(s):  
Molecular Dynamics ◽  
Drug Design ◽  
Homology Modeling ◽  
Cannabinoid Receptors ◽  
De Novo ◽  
Computational Study ◽  
Dynamics Analysis ◽  
De Novo Drug Design

scholarly journals Arabinosyl transferase inhibitor design against Mycobacterium tuberculosis using ligand based drug design approach

2014 ◽  
Vol 9 (2) ◽  
Author(s):  
Bhaskor Kolita ◽  
Dhrubajyoti Gogoi ◽  
Partha Pratim Dutta ◽  
Manobjyoti Bordoloi ◽  
Rajib Lochan Bezbaruah
Keyword(s):  
Mycobacterium Tuberculosis ◽  
Drug Design ◽  
Design Approach ◽  
Inhibitor Design

scholarly journals Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach

2017 ◽  
Vol 174 (14) ◽  
pp. 2209-2224 ◽  
Author(s):  
Ali Ryan ◽  
Elena Polycarpou ◽  
Nathan A Lack ◽  
Dimitrios Evangelopoulos ◽  
Christian Sieg ◽  
...  
Keyword(s):  
Drug Design ◽  
Design Approach ◽  
Novel Target

Structure-based drug design using GPCR homology modeling: Toward the discovery of novel selective CysLT2 antagonists

2013 ◽  
Vol 62 ◽  
pp. 754-763 ◽  
Author(s):  
Xiaowu Dong ◽  
Yanmei Zhao ◽  
Xueqin Huang ◽  
Kana Lin ◽  
Jianzhong Chen ◽  
...  
Keyword(s):  
Drug Design ◽  
Homology Modeling ◽  
Structure Based Drug Design
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