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

From in-silico QSAR modeling to in-vitro MTT assay: experimental validation of novel uPAR leads for triple-negative breast cancer (TNBC) and skin cancer

从计算机模拟QSAR模型到体外MTT实验：新型uPAR先导化合物在三阴性乳腺癌（TNBC）和皮肤癌治疗中的实验验证

期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-026-36406-4
Badukle, Harshal; Jawarkar, Rahul D; Shah, Umang; Chaudhary, Somdutta; Alzahrani, Abdullah Yahya Abdullah; Samad, Abdul; Al-Hussain, Sami A; Al-Mutairi, Aamal A; Zaki, Magdi E A
肿瘤
肿瘤免疫
皮肤癌
uPA
乳腺癌
uPAR
发表日期：2026
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In-vitro and in-silico study to assess anti breast cancer potential of N-tosyl-indole based hydrazones

体外和计算机模拟研究评估基于N-甲苯磺酰吲哚的腙类化合物的抗乳腺癌潜力

期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-025-21326-6
Ghaffar, Uzma; Khan, Faizullah; Hussain, Javid; Mali, Suraj N; Khan, Ajmal; Chaudhari, Somdatta Y; Jawarkar, Rahul D; Alanazi, Abdullah K; Islam, Waseem Ul; Ismail, Mostafa A; Al-Harrasi, Ahmed; Shafiq, Zahid
肿瘤
肿瘤免疫
乳腺癌
发表日期：2025
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Design, Synthesis, In Vitro, and In Silico Studies of 5-(Diethylamino)-2-Formylphenyl Naphthalene-2-Sulfonate Based Thiosemicarbazones as Potent Anti-Alzheimer Agents.

5-(二乙氨基)-2-甲酰基苯基萘-2-磺酸酯基硫代氨基脲类化合物作为强效抗阿尔茨海默病药物的设计、合成、体外和计算机模拟研究

期刊:Archiv der Pharmazie
影响因子:3.6
doi:10.1002/ardp.70050
Farooq Urva, Islam Muhammad, Batool Zahra, Mali Suraj N, Jawarkar Rahul D, Gurav Shailesh S, Alharthy Rima D, Şenol Halil, Sadeghian Nastaran, Taslimi Parham, Shafiq Zahid, Schenone Silvia
神经科学
发表日期：2025
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Design, synthesis, QSAR modelling and molecular dynamic simulations of N-tosyl-indole hybrid thiosemicarbazones as competitive tyrosinase inhibitors

N-甲苯磺酰吲哚杂合硫代氨基脲类化合物作为竞争性酪氨酸酶抑制剂的设计、合成、QSAR建模和分子动力学模拟

期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-024-75100-1
Batool, Zahra; Ullah, Saeed; Khan, Ajmal; Mali, Suraj N; Gurav, Shailesh S; Jawarkar, Rahul D; Alshammari, Abdulrahman; Albekairi, Norah A; Al-Harrasi, Ahmed; Shafiq, Zahid
发表日期：2024
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Multi-Target In-Silico modeling strategies to discover novel angiotensin converting enzyme and neprilysin dual inhibitors

利用多靶点计算机模拟策略发现新型血管紧张素转换酶和脑啡肽酶双重抑制剂

期刊:Scientific Reports
影响因子:3.9
doi:10.1038/s41598-024-66230-7
Shah, Sapan K; Chaple, Dinesh R; Masand, Vijay H; Jawarkar, Rahul D; Chaudhari, Somdatta; Abiramasundari, A; Zaki, Magdi E A; Al-Hussain, Sami A
神经科学
发表日期：2024
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Synthesis and antiproliferative evaluation of novel 3,5,8-trisubstituted coumarins against breast cancer

新型3,5,8-三取代香豆素的合成及其对乳腺癌的抗增殖活性评价

期刊:Future Medicinal Chemistry
影响因子:3.4
doi:10.4155/fmc-2023-0375
Salem, Manar G; Alqahtani, Alaa M; Mali, Suraj N; Alshwyeh, Hussah Abdullah; Jawarkar, Rahul D; Altamimi, Abdulmalik S; Alshawwa, Samar Z; Al-Olayan, Ebtesam; Saied, Essa M; Youssef, Mohamed F
肿瘤
肿瘤免疫
乳腺癌
发表日期：2024
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RETRACTED: Application of in-silico drug discovery techniques to discover a novel hit for target-specific inhibition of SARS-CoV-2 Mpro's revealed allosteric binding with MAO-B receptor: A theoretical study to find a cure for post-covid neurological disorder

撤稿：应用计算机药物发现技术发现针对SARS-CoV-2 Mpro靶点特异性抑制的新先导化合物，揭示其与MAO-B受体的变构结合：一项旨在寻找新冠后遗症神经系统疾病治疗方法的理论研究

期刊:PLoS One
影响因子:2.6
doi:10.1371/journal.pone.0286848
Zaki, Magdi E A; Al-Hussain, Sami A; Al-Mutairi, Aamal A; Samad, Abdul; Masand, Vijay H; Ingle, Rahul G; Rathod, Vivek Digamber; Gaikwad, Nikita Maruti; Rashid, Summya; Khatale, Pravin N; Burakale, Pramod V; Jawarkar, Rahul D
新冠
信号转导
SARS-CoV-2
微生物学
发表日期：2024
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In-silico studies to recognize repurposing therapeutics toward arginase-I inhibitors as a potential onco-immunomodulators

利用计算机模拟研究来识别将精氨酸酶-I抑制剂作为潜在的肿瘤免疫调节剂进行再利用的疗法

期刊:Frontiers in Pharmacology
影响因子:4.8
doi:10.3389/fphar.2023.1129997
Zaki, Magdi E A; Al-Hussain, Sami A; Al-Mutairi, Aamal A; Samad, Abdul; Ghosh, Arabinda; Chaudhari, Somdatta; Khatale, Pravin N; Ajmire, Prashant; Jawarkar, Rahul D
免疫/内分泌
肿瘤免疫
肿瘤
发表日期：2023
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Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer's disease

将食物分子重新利用为治疗阿尔茨海默病的潜在BACE1抑制剂

期刊:Frontiers in Aging Neuroscience
影响因子:4.5
doi:10.3389/fnagi.2022.878276
Mukerjee, Nobendu; Das, Anubhab; Jawarkar, Rahul D; Maitra, Swastika; Das, Padmashree; Castrosanto, Melvin A; Paul, Soumyadip; Samad, Abdul; Zaki, Magdi E A; Al-Hussain, Sami A; Masand, Vijay H; Hasan, Mohammad Mehedi; Bukhari, Syed Nasir Abbas; Perveen, Asma; Alghamdi, Badrah S; Alexiou, Athanasios; Kamal, Mohammad Amjad; Dey, Abhijit; Malik, Sumira; Bakal, Ravindra L; Abuzenadah, Adel Mohammad; Ghosh, Arabinda; Md Ashraf, Ghulam
BACE1
阿尔茨海默症
发表日期：2022
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Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches

利用基于QSAR的虚拟筛选、分子对接、MD模拟和MMGBSA方法鉴定有效的醛糖还原酶抑制剂作为抗糖尿病（抗高血糖）药物

期刊:Saudi Pharmaceutical Journal
影响因子:3.4
doi:10.1016/j.jsps.2022.04.003
Bakal, Ravindra L; Jawarkar, Rahul D; Manwar, J V; Jaiswal, Minal S; Ghosh, Arabinda; Gandhi, Ajaykumar; Zaki, Magdi E A; Al-Hussain, Sami; Samad, Abdul; Masand, Vijay H; Mukerjee, Nobendu; Nasir Abbas Bukhari, Syed; Sharma, Praveen; Lewaa, Israa
代谢
糖尿病
多发性骨髓瘤
发表日期：2022
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