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Journal of Biomolecular Structure and Dynamics Volume 35, 2017 - Issue 9
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Research Articles

Molecular modeling study for the design of novel acetyl-CoA carboxylase inhibitors using 3D QSAR, molecular docking and dynamic simulations

Vivek K. VyasDepartment of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad382481, Gujarat, IndiaCorrespondence[email protected]
[email protected]
,
Mohini DabasiaDepartment of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad382481, Gujarat, India
,
Gulamnizami QureshiDepartment of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad382481, Gujarat, India
,
Palak PatelInstitute of Science, Nirma University, S.G. Highway, Chharodi, Ahmedabad382481, Gujarat, India
&
Manjunath GhateDepartment of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad382481, Gujarat, India
Pages 2003-2015 | Received 19 Feb 2016, Accepted 18 Jun 2016, Published online: 12 Jul 2016

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Leyuan Chen, Yuqing Duan, Huiqiang Wei, Hongxin Ning, Changfen Bi, Ying Zhao, Yong Qin & Yiliang Li. (2019) Acetyl-CoA carboxylase (ACC) as a therapeutic target for metabolic syndrome and recent developments in ACC1/2 inhibitors. Expert Opinion on Investigational Drugs 28:10, pages 917-930.
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Aman Chandra Kaushik & Shakti Sahi. (2018) Insights into unbound–bound states of GPR142 receptor in a membrane-aqueous system using molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 36:7, pages 1788-1805.
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Smrita Singh & Aparajita Mohanty. (2018) In silico identification of potential drug compound against Peroxisome proliferator-activated receptor-gamma by virtual screening and toxicity studies for the treatment of Diabetic Nephropathy. Journal of Biomolecular Structure and Dynamics 36:7, pages 1776-1787.
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Manish Kesherwani, Sriram Raghavan, Krishnasamy Gunasekaran & Devadasan Velmurugan. (2018) Identification of novel Nicotinamide Phosphoribosyltransferase (NAMPT) inhibitors using computational approaches. Journal of Biomolecular Structure and Dynamics 36:5, pages 1306-1328.
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Manoj Kumar Mahapatra, Krishnendu Bera, Durg Vijay Singh, Rajnish Kumar & Manoj Kumar. (2018) In silico modelling and molecular dynamics simulation studies of thiazolidine based PTP1B inhibitors. Journal of Biomolecular Structure and Dynamics 36:5, pages 1195-1211.
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Articles from other publishers (1)

Fei Ding, Ling-Xu Li, Wei Peng, Yu-Kui Peng & Bing-Qi Liu. (2019) Molecular basis for the resistance of American sloughgrass to aryloxyphenoxypropionic acid pesticides and its environmental relevance: A combined experimental and computational study. Chemosphere 235, pages 1030-1040.
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