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Fei Xiong, Lu Chen, Yan-jun Zhang, Yi-ren Zhu, Chen Sun, Chao Ma, Shuai-jun Zhang & Zhong-hua Wang. (2023) Molecular Modeling and Docking Studies of 2,4,5-Trisubstituted Pyrimidines as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. Polycyclic Aromatic Compounds 43:9, pages 7870-7889.
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Ikponmwosa Owen Evbuomwan, Omokolade Oluwaseyi Alejolowo, Tobiloba Christiana Elebiyo, Charles Obiora Nwonuma, Oluwafemi Adeleke Ojo, Evelyn Uwa Edosomwan, Joy Ifeyinwa Chikwendu, Nwanneka Victoria Elosiuba, Justina Chimezie Akulue, Festus Ayorinde Dogunro, Damilare Emmanuel Rotimi, Omorefosa Osarenkhoe Osemwegie, Adebola Busola Ojo, Olusegun George Ademowo, Oluyomi Stephen Adeyemi & Olarewaju Michael Oluba. (2023) In silico modeling revealed phytomolecules derived from Cymbopogon citratus (DC.) leaf extract as promising candidates for malaria therapy. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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Shuo Wang, Yujie Ren, Zhao Wang, Xiangyi Jiang, Shujing Xu, Xujie Zhang, Shujie Zhao, Waleed A Zalloum, Xinyong Liu & Peng Zhan. (2022) The current progress in the use of boron as a platform for novel antiviral drug design. Expert Opinion on Drug Discovery 17:12, pages 1329-1340.
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Min Li, Yayao Wang, Jianren Xu, Xiu Zhang & Zhaojun Wei. (2023) Deciphering the toxicity mechanism of haloquinolines on Chlorella pyrenoidosa using QSAR and metabolomics approaches. Ecotoxicology and Environmental Safety 257, pages 114943.
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Yan Tuo, Yuelu Tang, Yongxin Yu, Haoran Liang, Bin Huang, Shan Geng & Yuanqiang Wang. (2023) Structural investigation of Keap1–Nrf2 protein–protein interaction (PPI) inhibitors for treating myocarditis through molecular simulations. New Journal of Chemistry 47:18, pages 8524-8537.
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Juntao Li, Yue Wu, Xinxin Yu, Xinyu Zheng, Jiechen Xian, Senjie Li, Wanyin Shi, Yun Tang, Zhe-Sheng Chen, Guixia Liu, Shen Yao, Jian Xu & Xiangwei Zheng. (2022) Isolation, bioassay and 3D-QSAR analysis of 8-isopentenyl flavonoids from Epimedium sagittatum maxim. as PDE5A inhibitors. Chinese Medicine 17:1.
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Arti GuptaViney LatherDushyanth R. VennapuSandeep KumarMallikarjun. B.P.Neerupma DhimanArchana Sharma. (2022) 3D-QSAR, E-pharmacophore and molecular docking to explore substituted sulfonamides as carbonic anhydrase inhibitors in epilepsy. Research Journal of Pharmacy and Technology, pages 5521-5528.
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Marko Popovic. (2022) Biothermodynamics of Viruses from Absolute Zero (1950) to Virothermodynamics (2022). Vaccines 10:12, pages 2112.
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Yan-Jun Zhang, Lu Chen, Jie Xu, Hui-Fang Jiang, Yi-Ren Zhu, Zhong-Hua Wang & Fei Xiong. (2022) Evaluation of novel HIV-1 protease inhibitors with DRV-resistance by utilizing 3D-QSAR molecular docking and molecular dynamics simulation. New Journal of Chemistry 46:45, pages 21885-21897.
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Shasank S. Swain & Tahziba Hussain. (2022) Combined Bioinformatics and Combinatorial Chemistry Tools to Locate Drug‐Able Anti‐TB Phytochemicals: A Cost‐Effective Platform for Natural Product‐Based Drug Discovery. Chemistry & Biodiversity 19:11.
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Vladimir R. Vukic, Dajana V. Vukic, Goran Benedekovic, Vesna Kojic & Velimir Popsavin. (2022) (–)-cleistenolide and its Analogs as New Potential Antitumor Compounds Against PC-3 Cells. Pharmaceutical Chemistry Journal 56:5, pages 619-626.
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Yu Chen, Fukuan Du, Liyao Tang, Jinrun Xu, Yueshui Zhao, Xu Wu, Mingxing Li, Jing Shen, Qinglian Wen, Chi Hin Cho & Zhangang Xiao. (2022) Carboranes as unique pharmacophores in antitumor medicinal chemistry. Molecular Therapy - Oncolytics 24, pages 400-416.
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