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SAR and QSAR in Environmental Research Volume 29, 2018 - Issue 5
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Articles

Structural exploration of hydroxyethylamines as HIV-1 protease inhibitors: new features identified

S. A. AminNatural science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, P.O. Box 17020, Jadavpur University, Kolkata700032, West Bengal, IndiaORCID Iconhttp://orcid.org/0000-0003-4799-7322
ORCID Icon,
N. AdhikariNatural science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, P.O. Box 17020, Jadavpur University, Kolkata700032, West Bengal, IndiaORCID Iconhttp://orcid.org/0000-0001-5523-7716
ORCID Icon,
S. BhargavaLaboratory of Drug Design and Discovery, Department of Pharmaceutical Sciences, Dr Hari Singh Gour University, Sagar470003, Madhya Pradesh, India
,
T. JhaNatural science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, P.O. Box 17020, Jadavpur University, Kolkata700032, West Bengal, IndiaCorrespondence[email protected]
ORCID Iconhttp://orcid.org/0000-0002-9996-738X
ORCID Icon &
S. GayenLaboratory of Drug Design and Discovery, Department of Pharmaceutical Sciences, Dr Hari Singh Gour University, Sagar470003, Madhya Pradesh, IndiaCorrespondence[email protected]
Pages 385-408 | Received 19 Jan 2018, Accepted 28 Feb 2018, Published online: 23 Mar 2018

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Fisayo A. Olotu, Clement Agoni, Opeyemi Soremekun & Mahmoud E. S. Soliman. (2020) The recent application of 3D-QSAR and docking studies to novel HIV-protease inhibitor drug discovery. Expert Opinion on Drug Discovery 15:9, pages 1095-1109.
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K. Ghosh, B. Bhardwaj, S.A. Amin, T. Jha & S. Gayen. (2020) Identification of structural fingerprints for ABCG2 inhibition by using Monte Carlo optimization, Bayesian classification, and structural and physicochemical interpretation (SPCI) analysis. SAR and QSAR in Environmental Research 31:6, pages 439-455.
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S. Banerjee, S.A. Amin, S.K. Baidya, N. Adhikari & T. Jha. (2020) Exploring the structural aspects of ureido-amino acid-based APN inhibitors: a validated comparative multi-QSAR modelling study. SAR and QSAR in Environmental Research 31:5, pages 325-345.
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Sanskar Jain, Bhagwati Bhardwaj, Sk. Abdul Amin, Nilanjan Adhikari, Tarun Jha & Shovanlal Gayen. (2020) Exploration of good and bad structural fingerprints for inhibition of indoleamine-2,3-dioxygenase enzyme in cancer immunotherapy using Monte Carlo optimization and Bayesian classification QSAR modeling. Journal of Biomolecular Structure and Dynamics 38:6, pages 1683-1696.
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S.A. Amin, S. Banerjee, N. Adhikari & T. Jha. (2020) Discriminations of active from inactive HDAC8 inhibitors Part II: Bayesian classification study to find molecular fingerprints. SAR and QSAR in Environmental Research 31:4, pages 245-260.
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Sanskar Jain, Sk. Abdul Amin, Nilanjan Adhikari, Tarun Jha & Shovanlal Gayen. (2020) Good and bad molecular fingerprints for human rhinovirus 3C protease inhibition: identification, validation, and application in designing of new inhibitors through Monte Carlo-based QSAR study. Journal of Biomolecular Structure and Dynamics 38:1, pages 66-77.
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B. Bhardwaj, A.T.K. Baidya, S.A. Amin, N. Adhikari, T. Jha & S. Gayen. (2019) Insight into structural features of phenyltetrazole derivatives as ABCG2 inhibitors for the treatment of multidrug resistance in cancer. SAR and QSAR in Environmental Research 30:7, pages 457-475.
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Articles from other publishers (8)

Abdeslem Bouzina, Malika Berredjem, Sofiane Bouacida, Khaldoun Bachari, Christelle Marminon, Marc Le Borgne, Zouhair Bouaziz & Yousra Ouafa Bouone. (2022) Synthesis, in silico study (DFT, ADMET) and crystal structure of novel sulfamoyloxy-oxazolidinones: Interaction with SARS-CoV-2. Journal of Molecular Structure 1257, pages 132579.
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Sumit Kumar, Charu Upadhyay, Meenakshi Bansal, Maria Grishina, Bhupender S. Chhikara, Vladimir Potemkin, Brijesh Rathi & Poonam. (2020) Experimental and Computational Studies of Microwave-Assisted, Facile Ring Opening of Epoxide with Less Reactive Aromatic Amines in Nitromethane. ACS Omega 5:30, pages 18746-18757.
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Huiyu Zhou, Mei Zhu, Ling Ma, Jinming Zhou, Biao Dong, Guoning Zhang, Shan Cen, Yucheng Wang & Juxian Wang. (2020) Piperidine scaffold as the novel P2-ligands in cyclopropyl-containing HIV-1 protease inhibitors: Structure-based design, synthesis, biological evaluation and docking study. PLOS ONE 15:7, pages e0235483.
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Jurica Novak, Maria A Grishina, Vladimir A Potemkin & Johann Gasteiger. (2020) Performance of radial distribution function-based descriptors in the chemoinformatic studies of HIV-1 protease. Future Medicinal Chemistry 12:4, pages 299-309.
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Jay Trivedi, Aftab Alam, Shruti Joshi, Togapur Pavan Kumar, Venkatraju Chippala, Prathama S. Mainkar, Srivari Chandrasekhar, Samit Chattopadhyay & Debashis Mitra. (2020) A novel isothiocyanate derivative inhibits HIV-1 gene expression and replication by modulating the nuclear matrix associated protein SMAR1. Antiviral Research 173, pages 104648.
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Sandip Kumar Baidya, Sk. Abdul Amin, Suvankar Banerjee, Nilanjan Adhikari & Tarun Jha. (2019) Structural exploration of arylsulfonamide-based ADAM17 inhibitors through validated comparative multi-QSAR modelling studies. Journal of Molecular Structure 1185, pages 128-142.
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Jay Trivedi, Anjali Tripathi, Debprasad Chattopadhyay & Debashis Mitra. 2019. New Look to Phytomedicine. New Look to Phytomedicine 273 298 .
Yang Li, Yujia Tian, Zijian Qin & Aixia Yan. (2018) Classification of HIV-1 Protease Inhibitors by Machine Learning Methods. ACS Omega 3:11, pages 15837-15849.
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