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SAR and QSAR in Environmental Research Volume 32, 2021 - Issue 4
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Research Article

In silico guided design of non-covalent inhibitors of DprE1: synthesis and biological evaluation

H. VermaMolecular Modelling Lab (MML), Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, India
,
S. ChoudharyMolecular Modelling Lab (MML), Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, India
,
M. KumarMolecular Modelling Lab (MML), Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, India
&
O. SilakariMolecular Modelling Lab (MML), Department of Pharmaceutical Sciences and Drug Research, Punjabi University, Patiala, IndiaCorrespondence[email protected]
Pages 333-352 | Received 12 Dec 2020, Accepted 03 Mar 2021, Published online: 31 Mar 2021

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S. Ahmed, A.E. Prabahar & A.K. Saxena. (2023) Molecular docking-based interaction studies on imidazo[1,2-a] pyridine ethers and squaramides as anti-tubercular agents. SAR and QSAR in Environmental Research 34:6, pages 435-457.
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Gozde Yalcin-Ozkat, Ronak H. Ersan, Mahmut Ulger, Seda T. Ulger, Serdar Burmaoglu, Ilkay Yildiz & Oztekin Algul. (2023) Design, synthesis, and computational studies of benzimidazole derivatives as new antitubercular agents. Journal of Biomolecular Structure and Dynamics 41:7, pages 2667-2686.
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S. Ahmed, A.E. Prabahar & A.K. Saxena. (2022) Molecular docking-based interactions in QSAR studies on Mycobacterium tuberculosis ATP synthase inhibitors. SAR and QSAR in Environmental Research 33:4, pages 289-305.
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N.C. Desai, H.C. Somani, H.K. Mehta, D.J. Jadeja, A.G. Khasiya & V.M. Khedkar. (2022) Microwave-assisted organic synthesis, antimycobacterial activity, structure–activity relationship and molecular docking studies of some novel indole-oxadiazole hybrids. SAR and QSAR in Environmental Research 33:2, pages 89-109.
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S. Das, S.A. Amin & T. Jha. (2021) Insight into the structural requirement of aryl sulphonamide based gelatinases (MMP-2 and MMP-9) inhibitors – Part I: 2D-QSAR, 3D-QSAR topomer CoMFA and Naïve Bayes studies – First report of 3D-QSAR Topomer CoMFA analysis for MMP-9 inhibitors and jointly inhibitors of gelatinases together. SAR and QSAR in Environmental Research 32:8, pages 655-687.
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