日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

Baicalin protects against heat-induced multiorgan dysfunction via organ-specific protein modulation: integrative in silico and in vivo evidence.

黄芩苷通过器官特异性蛋白质调节来防止热诱导的多器官功能障碍：计算机模拟和体内研究的综合证据。

期刊:RSC Advances
影响因子:4.6
doi:10.1039/d5ra05510e
Kumari Anjali, Tufail Aisha, Abdellattif Magda H, Dubey Amit, Sinha Rakesh Kumar
发表日期：2026
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Benzilmonoximethiocarbohydrazide Schiff bases as multifunctional antimalarial and antioxidant scaffolds: synthesis, biological evaluation, and mechanistic insights

苯甲酰单肟硫代碳酰肼席夫碱作为多功能抗疟疾和抗氧化骨架：合成、生物学评价和机制研究

期刊:RSC Advances
影响因子:4.6
doi:10.1039/d5ra06425b
Singh, Shravan Kumar; Bagul, Abhay; Kumar, Manish; Tufail, Aisha; Kulkarni, Santosh Waman; Sharma, Sheetal; Dubey, Amit
微生物学
疟疾
发表日期：2025
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Tri-metallic (Au-Pt-Ag) nanofluids: unveiling synergistic anti-malarial, cytotoxic, and antioxidant potentials through experimental and computational approaches

三元（Au-Pt-Ag）纳米流体：通过实验和计算方法揭示其协同抗疟疾、细胞毒性和抗氧化潜力

期刊:RSC Advances
影响因子:4.6
doi:10.1039/d5ra02037a
Dubey, Amit; Kumar, Manish; Tufail, Aisha; Bagul, Abhay D
微生物学
细胞生物学
毒理研究
疟疾
发表日期：2025
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Sustainable synthesis of Schiff base derivatives via an ionic liquid and a microwave-assisted approach: structural, biological, and computational evaluation

利用离子液体和微波辅助方法可持续合成席夫碱衍生物：结构、生物学和计算评价

期刊:RSC Advances
影响因子:4.6
doi:10.1039/d5ra02622a
Bhusari, Nilesh; Bagul, Abhay; Mishra, Vipin Kumar; Tufail, Aisha; Gaikwad, Digambar; Dubey, Amit
发表日期：2025
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Steroidal Alkaloids from Sarcococca saligna (Buxaceae): In Vitro and In Silico Evaluation of Their Cytotoxic Potential

来自柳叶野扇花（黄杨科）的甾体生物碱：体外和计算机模拟评价其细胞毒性

期刊:ACS Omega
影响因子:4.3
doi:10.1021/acsomega.5c04143
Sahu, Neha; Dubey, Amit; Singh, Nitesh; Arya, K R; Yadav, Pragya; Chaturvedi, Priyank; Meena, Sanjeev; Shukla, Vijaya; Datta, Dipak; Tadigoppula, Narender; Kumar, Brijesh; Rajak, Bikash Kumar
细胞生物学
毒理研究
发表日期：2025
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Repurposing Metal-Based Therapeutics for Human Metapneumovirus (HMPV): An Integrative Computational Approach

将金属基疗法重新用于治疗人偏肺病毒（HMPV）：一种整合计算方法

期刊:Bioinorganic Chemistry and Applications
影响因子:4.1
doi:10.1155/bca/6680612
Dubey, Amit; Kumar, Manish; Tufail, Aisha; Dwivedi, Vivek Dhar; Ragusa, Andrea
Human
发表日期：2025
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Computational repurposing of drugs against dengue virus targeting NS5 and methyltransferase proteins

利用计算机辅助药物重定位靶向登革病毒NS5和甲基转移酶蛋白的药物

期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-025-09443-8
Yaswanth, Murthaeti; Dubey, Amit; Tufail, Aisha; Nath, Subrata; Janardhan, Saravanan; Maffia, Michele; Ragusa, Andrea; Mishra, Vipin Kumar
微生物学
发表日期：2025
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Identification of potential NUDT5 inhibitors from marine bacterial natural compounds via molecular dynamics and free energy landscape analysis

通过分子动力学和自由能景观分析从海洋细菌天然化合物中鉴定潜在的NUDT5抑制剂

期刊:Molecular Diversity
影响因子:3.8
doi:10.1007/s11030-024-10950-5
Dubey, Amit; Alanazi, Amer M; Bhardwaj, Rima; Ragusa, Andrea
微生物学
发表日期：2025
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Retraction notice to "Synthesis, spectroscopic findings, SEM/EDX, DFT, and single-crystal structure of Hg/Pb/Cu-SCN complexes: In silico ADME/T profiling and promising antibacterial activities" [Heliyon 9 (2023) e16103]

撤稿通知：“Hg/Pb/Cu-SCN 复合物的合成、光谱学发现、SEM/EDX、DFT 和单晶结构：计算机辅助 ADME/T 分析和有前景的抗菌活性”[Heliyon 9 (2023) e16103]

期刊:Heliyon
影响因子:3.6
doi:10.1016/j.heliyon.2025.e43770
Majumdar, Dhrubajyoti; Philip, Jessica Elizabeth; Dubey, Amit; Tufail, Aisha; Roy, Sourav
发表日期：2025
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Organotellurium(IV) complexes disrupt microbes via quantum insights into antioxidant and antimicrobial activity

有机碲(IV)配合物通过量子力学方法揭示其抗氧化和抗菌活性，从而破坏微生物。

期刊:Future Medicinal Chemistry
影响因子:3.4
doi:10.1080/17568919.2025.2559571
Bhardwaj, Anisha; Dubey, Amit; Tufail, Aisha; Abdellattif, Magda H; Kumar, Manish; Garg, Sapana
微生物学
发表日期：2025
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