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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 11
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Research Articles

Quantitative structure activity relationship studies of novel hydrazone derivatives as α-amylase inhibitors with index of ideality of correlation

Meenakshi Duhana Department of Chemistry, Kurukshetra University, Kurukshetra, IndiaView further author information
,
Jayant Sindhub Department of Chemistry, COBS&H, CCS Haryana Agricultural University, Hisar, IndiaView further author information
,
Parvin Kumara Department of Chemistry, Kurukshetra University, Kurukshetra, IndiaCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0002-2635-6465View further author information
ORCID Icon,
Meena Devia Department of Chemistry, Kurukshetra University, Kurukshetra, IndiaView further author information
,
Rahul Singha Department of Chemistry, Kurukshetra University, Kurukshetra, IndiaView further author information
,
Ramesh Kumara Department of Chemistry, Kurukshetra University, Kurukshetra, IndiaView further author information
,
Sohan Lala Department of Chemistry, Kurukshetra University, Kurukshetra, IndiaView further author information
,
Ashwani Kumarc Department of Pharmaceutical Sciences, Guru Jambeshwar University of Science and Technology, Hisar, IndiaView further author information
,
Sudhir Kumard Department of MBB&B, COBS&H, CCS Haryana Agricultural University, Hisar, IndiaView further author information
&
Khalid Hussaine Department of Applied Sciences and Humanities, Mewat Engineering College, Nuh, IndiaView further author information
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Pages 4933-4953 | Received 12 Aug 2020, Accepted 09 Dec 2020, Published online: 24 Dec 2020

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Surbhi Goyal, Payal Rani, Monika Chahar, Khalid Hussain, Parvin Kumar & Jayant Sindhu. (2023) Quantitative structure activity relationship studies of androgen receptor binding affinity of endocrine disruptor chemicals with index of ideality of correlation, their molecular docking, molecular dynamics and ADME studies. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-16.
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Garima, S. Sharma, J. Sindhu & P. Kumar. (2023) QSAR study of tetrahydropteridin derivatives as polo-like kinase 1(PLK1) Inhibitors with molecular docking and dynamics study. SAR and QSAR in Environmental Research 34:2, pages 91-116.
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P. Kumar, R. Singh, A. Kumar, A.P. Toropova, A.A. Toropov, M. Devi, S. Lal, J. Sindhu & D. Singh. (2022) Identifications of good and bad structural fragments of hydrazone/2,5-disubstituted-1,3,4-oxadiazole hybrids with correlation intensity index and consensus modelling using Monte Carlo based QSAR studies, their molecular docking and ADME analysis. SAR and QSAR in Environmental Research 33:9, pages 677-700.
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A. Kumar & P. Kumar. (2021) Prediction of power conversion efficiency of phenothiazine-based dye-sensitized solar cells using Monte Carlo method with index of ideality of correlation. SAR and QSAR in Environmental Research 32:10, pages 817-834.
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Articles from other publishers (10)

Parvin Kumar, Ashwani Kumar, Jayant Sindhu & Sohan Lal. (2023) Quasi-SMILES as a basis for the development of QSPR models to predict the CO2 capture capacity of deep eutectic solvents using correlation intensity index and consensus modelling. Fuel 345, pages 128237.
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Rahul Singh, Parvin Kumar, Jayant Sindhu, Meena Devi, Ashwani Kumar, Sohan Lal & Devender Singh. (2023) Parsing structural fragments of thiazolidin-4-one based α-amylase inhibitors: A combined approach employing in vitro colorimetric screening and GA-MLR based QSAR modelling supported by molecular docking, molecular dynamics simulation and ADMET studies. Computers in Biology and Medicine 157, pages 106776.
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Mehdi Oubahmane, Ismail Hdoufane, Christelle Delaite, Adlane Sayede, Driss Cherqaoui & Achraf El Allali. (2023) Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations. Pharmaceuticals 16:4, pages 608.
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Meenakshi Duhan, Rahul Singh, Meena Devi, Jayant Sindhu, Parvin Kumar, Sudhir Kumar, Ramesh Kataria, Ashwani Kumar, Sohan Lal & Devender Singh. (2023) Thiazolidine-2,4-dione framework containing spiropyrrolidine-oxindole and 1,2,3-triazole scaffold: synthesis, in vitro α-amylase inhibition and in silico studies . New Journal of Chemistry 47:11, pages 5399-5412.
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Meena Devi, Parvin Kumar, Rahul Singh, Jayant Sindhu & Ramesh Kataria. (2023) Design, synthesis, spectroscopic characterization, single crystal X-ray analysis, in vitro α-amylase inhibition assay, DPPH free radical evaluation and computational studies of naphtho[2,3-d]imidazole-4,9-dione appended 1,2,3-triazoles. European Journal of Medicinal Chemistry 250, pages 115230.
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Hamideh Hamzehali, Shahram Lotfi, Shahin Ahmadi & Parvin Kumar. (2022) Quantitative structure–activity relationship modeling for predication of inhibition potencies of imatinib derivatives using SMILES attributes. Scientific Reports 12:1.
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Cedric Dzidzor Kodjo Amengor, Emmanuel Orman, Cynthia Amaning Danquah, Inemesit Okon Ben, Prince Danan Biniyam & Benjamin Kingsley Harley. (2022) Pyridine-N-Oxide Alkaloids from Allium stipitatum and Their Synthetic Disulfide Analogs as Potential Drug Candidates against Mycobacterium tuberculosis: A Molecular Docking, QSBAR, and ADMET Prediction Approach. BioMed Research International 2022, pages 1-14.
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Indu Bala, Kiran Singh, Ramesh Kataria & Meena Sindhu. (2022) Exploration of structural, electrostatic and photophysical behaviour of novel Ni(II), Cu(II) and Zn(II) complexes and their utility as potent antimicrobial agents. Applied Organometallic Chemistry 36:6.
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Siraj Khan, Nesrin Buğday, Asim Ur Rehman, Ihsan Ul Haq, Sedat Yaşar & İsmail Özdemir. (2022) Synthesis, molecular docking, and biological evaluation of 5‐alkyl(aryl)‐2‐isobutylthiazole derivatives: As α‐amylase, α‐glucosidase, and protein kinase inhibitors. Applied Organometallic Chemistry 36:5.
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Furqan Ahmad Saddique, Matloob Ahmad, Usman Ali Ashfaq, Muhammad Muddassar, Sadia Sultan & Magdi E. A. Zaki. (2022) Identification of Cyclic Sulfonamides with an N-Arylacetamide Group as α-Glucosidase and α-Amylase Inhibitors: Biological Evaluation and Molecular Modeling. Pharmaceuticals 15:1, pages 106.
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