scholarly journals Molecular docking and structure-based virtual screening studies of potential drug target, CAAX prenyl proteases, of Leishmania donovani

2016 ◽  
Vol 34 (11) ◽  
pp. 2367-2386 ◽  
Author(s):  
Shalini Singh ◽  
Sitrarasu Vijaya Prabhu ◽  
Venkatesan Suryanarayanan ◽  
Ruchika Bhardwaj ◽  
Sanjeev Kumar Singh ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
Drug Target ◽  
Leishmania Donovani ◽  
Potential Drug Target ◽  
Potential Drug

Molecular Docking with Trehalose-6 Phosphate Phosphatase: A Potential Drug Target of Filaral Parasite ‘Brugia malayi’

2011 ◽  
Vol 8 (4) ◽  
pp. 363-370 ◽  
Author(s):  
Lakshminarayanan Karthik ◽  
Palayam Malathy ◽  
Annie Trinitta ◽  
Krishnasamy Gunasekaran
Keyword(s):  
Molecular Docking ◽  
Drug Target ◽  
Brugia Malayi ◽  
Potential Drug Target ◽  
Potential Drug

scholarly journals Identification of potential drug target in malarial disease using molecular docking analysis

2020 ◽  
Vol 27 (12) ◽  
pp. 3327-3333
Author(s):  
Jesudass Joseph Sahayarayan ◽  
Kulanthaivel Soundar Rajan ◽  
Mutharasappan Nachiappan ◽  
Dhamodharan Prabhu ◽  
Ravi Guru Raj Rao ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Drug Target ◽  
Potential Drug Target ◽  
Potential Drug ◽  
Docking Analysis ◽  
Molecular Docking Analysis

scholarly journals N-Myristoyltransferase from Leishmania donovani: Structural and Functional Characterisation of a Potential Drug Target for Visceral Leishmaniasis

2010 ◽  
Vol 396 (4) ◽  
pp. 985-999 ◽  
Author(s):  
James A. Brannigan ◽  
Barbara A. Smith ◽  
Zhiyong Yu ◽  
Andrzej M. Brzozowski ◽  
Michael R. Hodgkinson ◽  
...  
Keyword(s):  
Visceral Leishmaniasis ◽  
Drug Target ◽  
Leishmania Donovani ◽  
Potential Drug Target ◽  
Potential Drug ◽  
Functional Characterisation

scholarly journals Proteome based mapping and molecular docking revealed DnaA as a potential drug target against Shigella sonnei

2021 ◽  
Author(s):  
Farah Shahid ◽  
Youssef Saeed Alghamdi ◽  
Mutaib Mashraqi ◽  
Mohsin Khurshid ◽  
Usman Ali Ashfaq
Keyword(s):  
Molecular Docking ◽  
Drug Target ◽  
Shigella Sonnei ◽  
Potential Drug Target ◽  
Potential Drug

Identification of Potent Inhibitors against Potential Drug Target for Schizophrenia Trough Virtual Screening Approach

2019 ◽  
Vol 9 (6) ◽  
pp. p90119
Author(s):  
Hifza Saleem ◽  
Sadaf Munir ◽  
Amara Mumtaz ◽  
Roshan Ali ◽  
Ayesha Maqbool ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Drug Target ◽  
Potential Drug Target ◽  
Potential Drug ◽  
Screening Approach ◽  
Virtual Screening Approach

Exploring Leishmania donovani 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR) as a potential drug target by biochemical, biophysical and inhibition studies

2014 ◽  
Vol 66 ◽  
pp. 14-23 ◽  
Author(s):  
Neeradi Dinesh ◽  
Dheeraj Sree Ram Pallerla ◽  
Preet Kamal Kaur ◽  
Neerupudi Kishore Babu ◽  
Sushma Singh
Keyword(s):  
Drug Target ◽  
Leishmania Donovani ◽  
Coenzyme A ◽  
Potential Drug Target ◽  
Potential Drug ◽  
Inhibition Studies ◽  
Coenzyme A Reductase

scholarly journals Virtual Screening and Docking Studies of Identified Potential Drug Target: Polysaccharide Deacetylase in Bacillus anthracis

2015 ◽  
Vol 34 ◽  
pp. 70-77
Author(s):  
K. Zaveri ◽  
A. Krishna Chaitanya ◽  
I. Bhaskar Reddy
Keyword(s):  
Virtual Screening ◽  
Bacillus Anthracis ◽  
Drug Target ◽  
Drug Targets ◽  
Docking Studies ◽  
Potential Drug Target ◽  
Potential Drug ◽  
Subtractive Genomics ◽  
Subtractive Genomics Approach ◽  
Novel Drug

In recent years, insilico approaches have been predicting novel drug targets. The present day development in pharmaceutics mainly ponders on target based drugs and this has been aided by structure based drug designing and subtractive genomics. In the present study, the computational genome subtraction methodology was applied for identification of novel, potential drug target against Bacillus anthracis, cause of deadly anthrax. The potential drug target identified through subtractive genomics approach was considered as polysaccharide deacetylase. By virtual screening against NCI database and Drugbank chemical libraries, two potential lead molecules were predicted. Further the potential lead molecules and target protein were subjected for docking studies using Autodock.

scholarly journals Prediction of Potential 3CLpro-Targeting Anti-SARS-CoV-2 Compounds from Chinese Medicine

2020 ◽  
Author(s):  
Ning Sun ◽  
Wing-Leung Wong ◽  
Jiao Guo
Keyword(s):  
Crystal Structure ◽  
Chinese Medicine ◽  
Traditional Chinese Medicine ◽  
Virtual Screening ◽  
Drug Target ◽  
Potential Drug Target ◽  
Potential Drug ◽  
Chemical Library ◽  
Recent Outbreak ◽  
Small Chemical

The recent outbreak of coronavirus disease 2019 caused by the new coronavirus, SARS-CoV-2, has become an international emergency. Since there is no effective therapy for the treatment of this disease, drugs or vaccine that can prevent or cure the SARS-CoV-2 infection are urgently needed. The viral 3-chymotrypsin-like cysteine protease (3CLpro), which plays a key role in the replication of coronavirus, is a potential drug target for the development of anti-SARS-CoV-2 drugs. With the crystal structure of 3CLpro, we performed virtual screening from a small chemical library of a Traditional Chinese Medicine recipe- FuFang Zhenzhu Tiaozhi (FTZ). Five compounds with the best scores were screened and could be considered as potential hit compounds to be investigated further with bioassays for their anti-virus effects.

scholarly journals Arabinosyltransferase C enzyme of Mycobacterium tuberculosis, a potential drug target: An insight from molecular docking study

Heliyon ◽  
2020 ◽  
Vol 6 (2) ◽  
pp. e02693 ◽  
Author(s):  
Nisha Das ◽  
Pradip Kumar Jena ◽  
Sukanta Kumar Pradhan
Keyword(s):  
Mycobacterium Tuberculosis ◽  
Molecular Docking ◽  
Drug Target ◽  
Docking Study ◽  
Potential Drug Target ◽  
Potential Drug ◽  
Molecular Docking Study
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