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Etibaria Belghalia, Mohamed Ouabane, Salma El Bahi, Hafiz Muzzammel Rehman, Abdelouahid Sbai, Tahar Lakhlifi & Mohammed Bouachrine. (2023) In silico research on new sulfonamide derivatives as BRD4 inhibitors targeting acute myeloid leukemia using various computational techniques including 3D-QSAR, HQSAR, molecular docking, ADME/Tox, and molecular dynamics. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-19.
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Saida Khamouli, Salah Belaidi, Mebarka Ouassaf, Touhami Lanez, Said Belaaouad & Samir Chtita. (2022) Multi-combined 3D-QSAR, docking molecular and ADMET prediction of 5-azaindazole derivatives as LRRK2 tyrosine kinase inhibitors. Journal of Biomolecular Structure and Dynamics 40:3, pages 1285-1298.
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Adib Ghaleb, Adnane Aouidate, Hicham Ben El Ayouchia, Mohammed Aarjane, Hafid Anane & Salah-Eddine Stiriba. (2022) In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening. Journal of Biomolecular Structure and Dynamics 40:1, pages 143-153.
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A.M. Al-Fakih, Z.Y. Algamal, M.H. Lee, M. Aziz & H.T.M. Ali. (2019) A QSAR model for predicting antidiabetic activity of dipeptidyl peptidase-IV inhibitors by enhanced binary gravitational search algorithm. SAR and QSAR in Environmental Research 30:6, pages 403-416.
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Vivek K. Vyas, Mohini Dabasia, Gulamnizami Qureshi, Palak Patel & Manjunath Ghate. (2017) Molecular modeling study for the design of novel acetyl-CoA carboxylase inhibitors using 3D QSAR, molecular docking and dynamic simulations. Journal of Biomolecular Structure and Dynamics 35:9, pages 2003-2015.
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Areej Abuhammad & Mutasem O. Taha. (2016) QSAR studies in the discovery of novel type-II diabetic therapies. Expert Opinion on Drug Discovery 11:2, pages 197-214.
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Maliheh Safavi, Alireza Foroumadi & Mohammad Abdollahi. (2013) The importance of synthetic drugs for type 2 diabetes drug discovery. Expert Opinion on Drug Discovery 8:11, pages 1339-1363.
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Wahyu Eko Prasetyo, Triana Kusumaningsih & Fajar Rakhman Wibowo. (2022) Gaining deeper insights into 2,5-disubstituted furan derivatives as potent α-glucosidase inhibitors and discovery of putative targets associated with diabetes diseases using an integrative computational approach. Structural Chemistry 34:2, pages 519-538.
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Manoj Kumar Gupta, Gayatri Gouda, Sumreen Sultana, Shital Manohar Punekar, Ramakrishna Vadde & Tekupalli Ravikiran. 2023.
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Jonali Ramani, Harshil Shah, Vivek K. Vyas & Manmohan Sharma. (2022) A review on the medicinal chemistry of sodium glucose co-transporter 2 inhibitors (SGLT2-I): Update from 2010 to present. European Journal of Medicinal Chemistry Reports 6, pages 100074.
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Tang Li, Wan Pang, Jie Wang, Zesheng Zhao, Xiaoli zhang & Liping Cheng. (2021) Docking-based 3D-QSAR, molecular dynamics simulation studies and virtual screening of novel ONC201 analogues targeting Mitochondrial ClpP. Journal of Molecular Structure 1245, pages 131025.
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Paresh K. Patel & Hardik G. Bhatt. (2021) Improved 3D-QSAR Prediction by Multiple Conformational Alignments and Molecular Docking Studies to Design and Discover HIV-I Protease Inhibitors. Current HIV Research 19:2, pages 154-171.
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Veerasamy Ravichandran & Rajak Harish. (2019) QSAR studies on imidazoles and sulfonamides as antidiabetic agents. Ovidius University Annals of Chemistry 30:1, pages 5-13.
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Jintao Yuan, Shuling Yu, Shufang Gao, Ying Gan, Yi Zhang, Ting Zhang, Yali Wang, Liu Yang, Jiahua Shi & Wu Yao. (2016) Predicting the biological activities of triazole derivatives as SGLT2 inhibitors using multilayer perceptron neural network, support vector machine, and projection pursuit regression models. Chemometrics and Intelligent Laboratory Systems 156, pages 166-173.
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Palak Parikh, Manjunath Ghate & Vivek K. Vyas. (2015) CoMFA and CoMSIA studies on 6,7-disubstituted-4-phenoxyquinoline derivatives as c-Met kinase inhibitors and anticancer agents. Medicinal Chemistry Research 24:12, pages 4078-4092.
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Ankit Borisa & Hardik Bhatt. (2015) 3D-QSAR (CoMFA, CoMFA-RG, CoMSIA) and molecular docking study of thienopyrimidine and thienopyridine derivatives to explore structural requirements for aurora-B kinase inhibition. European Journal of Pharmaceutical Sciences 79, pages 1-12.
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Hui Zhi, Junxia Zheng, Yiqun Chang, Qingguo Li, Guochao Liao, Qi Wang & Pinghua Sun. (2015) QSAR studies on triazole derivatives as sglt inhibitors via CoMFA and CoMSIA. Journal of Molecular Structure 1098, pages 199-205.
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Bhumika D. Patel & Manjunath D. Ghate. (2014) 3D-QSAR studies of dipeptidyl peptidase-4 inhibitors using various alignment methods. Medicinal Chemistry Research 24:3, pages 1060-1069.
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Nirzari Gupta, Vivek K. Vyas, Bhumika Patel & Manjunath Ghate. (2013) Predictive 3D-QSAR and HQSAR model generation of isocitrate lyase (ICL) inhibitors by various alignment methods combined with docking study. Medicinal Chemistry Research 23:6, pages 2757-2768.
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Vivek K. Vyas, Nirzari Gupta & Manjunath Ghate. (2013) CoMFA and CoMSIA analysis of protein kinase B (PKBβ) inhibitors using various alignment methods. Medicinal Chemistry Research 22:12, pages 6046-6062.
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