未登录 Network pharmacology, molecular docking, and dynamics simulation reveal multi-target mechanisms of Mesua ferrea linn phytochemicals against cervical cancer 网络药理学、分子对接和动力学模拟揭示铁力木植物化学成分抗宫颈癌的多靶点机制 Gaidhane, Aryan Shyam; Malvika, A. M.; Vasava, Mahesh; Kevlani, Vijay; Prajapati, Apurva; Patel, Hitesh; Parmar, Shivali; Prakash, Ilakkya; Bhadra, K. S.; Khandelwal, Riya; Parmar, Chintan; Rani, Shreya; Sreelakshmi, O. S.; More, Gayathri 分享 收藏
Design, multicomponent synthesis, characterization, crystal structure, and DFT study for new tetrahydrospiro[[1,3]dioxane-5,8′- pyrazolo[3,4-f]quinoline]-4,6-dione scaffold 设计、多组分合成、表征、晶体结构及DFT研究:新型四氢螺[[1,3]二氧杂环己烷-5,8′-吡唑并[3,4-f]喹啉]-4,6-二酮骨架 Chaudhary, Hiren R.; Prajapati, Apurva; Patel, Hitesh D.; Gupta, Vivek K.; Patel, Divyang M. 分享 收藏
Design, synthesis, antimicrobial evaluation, and molecular dynamics-based computational investigation of novel imidazole-based FabI-targeted derivatives with antioxidant, DNA nicking, and cytotoxicity studies☆ 基于分子动力学的设计、合成、抗菌评价及抗氧化、DNA切割和细胞毒性的新型咪唑基FabI靶向衍生物的分子动力学计算研究☆ Devliya, Bhargav; Patel, Bimalkumar; Chauhan, Shreya; Nagapara, Jaykumar; Thakar, Milan; Dixit, Nandan; Patel, Saumya K.; Sindhav, Gaurang; Patel, Hitesh D. 分享 收藏
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Design, synthesis, and pharmacological profiling of benzimidazole-based isoniazid analogues: A comprehensive investigation into antitubercular activity, molecular characterization, and computational study 基于苯并咪唑的异烟肼类似物的设计、合成和药理学表征:一项关于抗结核活性、分子表征和计算研究的综合调查 Vasava, Mahesh; Khandelwal, Riya; Parmar, Chintan; Thacker, Shital; Rajani, Dhanji P.; Patel, Hitesh D. 分享 收藏
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Computational Identification of Marine Natural Products as Potential MDM2 Inhibitors Using E-Pharmacophore-Based Virtual Screening, MD Simulations, MM-GBSA, DFT, PCA, and FEL Analysis 基于E-药效团虚拟筛选、分子动力学模拟、MM-GBSA、DFT、PCA和FEL分析的海洋天然产物作为潜在MDM2抑制剂的计算识别 Prajapati, Apurva; Kachhadiya, Radhika; Pravin, Arun; Singh, S. K.; Patel, Hitesh; Patel, Saumya 分享 收藏
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Microwave-assisted synthesis and computational studies of benzothiazole clubbed 1-thia-4-azaspiro[4,4]nonan-3-one derivatives as anti-cancer, anti-microbial and anti-oxidant agent Humal, Tejal R.; Gamit, Ankita S.; Shaikh, Faiyazalam M.; Desai, Piyush S.; Patel, Navin B.; Prajapati, Apurva; Patel, Hitesh D.; Patel, Vatsal M. 分享 收藏
Metal-Free, Visible-Light-Mediated Synthesis of Tetracyclic Benzimidazole: Regioselective C-H Functionalization with In Vitro and Computational Study of Anti-breast Cancer Compounds Choudhary, Annu; Garge, Nachiket Dattatray; Ala, Chandu; Patel, Bimalkumar; Patel, Vipul P.; Gurjar, Kamlesh K.; Patel, Hitesh D.; Sankaranarayanan, Murugesan; Mukherjee, Sudeshna; Chikhalia, Kishor H. 分享 收藏
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