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R

Rupesh V. Chikhale

university of london school of pharmacy

27H指数
145论文数
2.5K被引数
收录论文 45
发表时间
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Novel furo[2,3-d]pyrimidinones as direct thrombin inhibitors: Design, synthesis and biological evaluation新型呋喃[2,3-d]嘧啶酮作为直接凝血酶抑制剂：设计、合成与生物评价
errBIOORGANIC & MEDICINAL CHEMISTRY
IF3
err2026-08-06
err0
PREAI
errAtul N. Khadse; Hardik H. Savsani; Rupesh V. Chikhale; Shabnam Khan; Shrikant V. Joshi; Prashant R. Murumkar; Kirti V. Patel; Sadhana J. Rajput; Mange Ram Yadav
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Free energy perturbation-assisted identification of checkpoint kinase 1 targeted small-molecule inhibitors for cancer therapy using AI- and physics-driven molecular design基于自由能扰动辅助的AI和物理驱动的分子设计，用于癌症治疗中针对检查点激酶1的小分子抑制剂识别
errComputational Biology and Chemistry
IF3.1
err2026-06-01
err1
PREAI
errIslam, Md Ataul; Ali, Mohammad Ajmal; Chikhale, Rupesh; Islam, Md Lutful; Wabaidur, Saikh Mohammad
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Identification of GPI-Anchored Wall Transfer Protein 1 Modulators for Fungal Infections through Generative AI and Physics-Based Approaches通过生成式人工智能和基于物理的方法鉴定GPI锚定壁转移蛋白1的真菌感染调节剂
errInternational Journal of Molecular Sciences
IF4.9
err2026-05-26
err0
errOAAI
errIbrahim A. Alsarra; Rupesh Chikhale; Abdullah M. Al-Mohizea; Md Ataul Islam
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Free energy perturbation-derived identification of natural compounds targeting Mycobacterium tuberculosis thymidylate kinase基于自由能扰动分析识别靶向结核分枝杆菌胸苷酸激酶的天然化合物
errScientific Reports
IF3.9
err2026-05-26
err0
errOAAI
errRupesh V. Chikhale; Md Ataul Islam; Vikramsinh Sardarsinh Suryawanshi; Ibrahim A. Alsarra
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Applying artificial intelligence and machine learning framework for de novo design of pyrazole-based VEGFR-2 inhibitors应用人工智能和机器学习框架进行吡唑类VEGFR-2抑制剂的从头设计
errJournal of Molecular Graphics and Modelling
IF3
err2026-05-26
err0
PREAI
errDeepali M. Wanode; Md Ataul Islam; Kumud P. Bhendarkar; Megha P. Ambatkar; Pramod B. Khedekar; Rupesh Chikhale
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Investigating Escherichia coli Colicin E9 immunity protein interactions with DNA gyrase of Pseudomonas aeruginosa: advanced computational approach for developing novel antimicrobial strategies探究大肠杆菌Colicin E9免疫蛋白与铜绿假单胞菌DNA拓扑异构酶IV的相互作用：开发新型抗菌策略的先进计算方法
errScientific Reports
IF3.9
err2026-03-31
err0
PREAI
errAlfaraj, Rihaf; Alkathiri, Fai; Chikhale, Rupesh
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The expectations of in silico fragment-based drug design and future challenges
errExpert Opinion on Drug Discovery
IF4.9
err2026-02-03
err0
errOAAI
errRupesh Chikhale
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Molecular modelling assisted identification of novel Benzoxazole derivatives as hit molecules targeting Mycobacterial Membrane Protein Large 3 (MmpL3)
errComputers in Biology and Medicine
IF6.3
err2026-02-01
err0
PREAI
errRupesh Chikhale; Vikramsinh Sardarsinh Suryawanshi; Shweta Sharma; Vivek Kumar Gupta; Pramod B. Khedekar
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Evolution of proteolysis-targeting chimeras (PROTAC) technology to overcome challenges of antimicrobial resistance蛋白酶体靶向嵌合体(PROTAC)技术的演进以克服抗菌耐药性挑战
errnpj Antimicrobials and Resistance
IF0
err2025-12-04
err0
errOAAI
errSarwan, Dhanashree N.; Khedekar, Pramod B.; Bhole, Ritesh P.; Chikhale, Rupesh V.
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DNA G-Quadruplex and i-Motif Structure Formation Is Interdependent in Human Cells (vol. 142, pg. 20600, 2020)DNA G-四链体和i-基序结构形成在人类细胞中是相互依赖的（vol. 142, pg. 20600, 2020）
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2025-12-01
err0
PREAI
errKing, Jessica J.; Irving, Kelly L.; Evans, Cameron W.; Chikhale, Rupesh V.; Becker, Rouven; Morris, Christopher J.; Pena Martinez, Cristian D.; Schofield, Peter; Christ, Daniel; Hurley, Laurence H.; Waller, Zoe A. E.; Iyer, K. Swaminathan; Smith, Nicole M.
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Natural modulators of abscisic acid Signaling: Insights into polyphenol-based antagonists and their role in ABA receptor regulation脱落酸信号的自然调节剂：关于基于多酚的拮抗剂及其在ABA受体调控中的作用
errPlant Physiology and Biochemistry
IF5.7
err2025-06-16
err0
errOAAI
errJavier Merino; María Rivera-Moreno; Mar Bono; Diego Núñez-Villanueva; Ana González-Vega; Cristian Mayordomo; Lourdes Infantes; Rupesh Chikhale; Pedro L. Rodríguez; Armando Albert
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err收藏
Pharmacophore guided deep learning approach to identify novel inhibitors targeting mycobacterial polyketide synthase Pks13-TE domain
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2025-01-01
err2
PREAI
errChoudhary, Rinku; Bhowmick, Shovonlal; Abdelghani, Heba Taha M.; Patil, Pritee Chunarkar; Chikhale, Rupesh V.
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Integrated machine learning and physics-based methods assisted de novo design of Fatty Acyl-CoA synthase inhibitors
errEXPERT OPINION ON DRUG DISCOVERY
IF4.9
err2024-11-25
err0
errOAAI
errPawar, Atul; Deka, Hemchandra; Battula, Monishka; Aljawdah, Hossam M.; Patil, Preeti Chunarkar; Chikhale, Rupesh
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The Mycobacterium tuberculosis Cell Wall: An Alluring Drug Target for Developing Newer Anti-TB Drugs-A Perspective
errCHEMICAL BIOLOGY & DRUG DESIGN
IF3.3
err2024-09-05
err0
PREAI
errChauhan, Monica; Barot, Rahul; Yadav, Rasana; Joshi, Karan; Mirza, Sadaf; Chikhale, Rupesh; Srivastava, Vijay Kumar; Yadav, Mange Ram; Murumkar, Prashant R.
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Structural insights into i-motif DNA structures in sequences from the insulin-linked polymorphic region
errNATURE COMMUNICATIONS
IF15.7
err2024-08-20
err1
errOAAI
errGuneri, Dilek; Alexandrou, Effrosyni; El Omari, Kamel; Dvorakova, Zuzana; Chikhale, Rupesh V.; Pike, Daniel T. S.; Waudby, Christopher A.; Morris, Christopher J.; Haider, Shozeb; Parkinson, Gary N.; Waller, Zoe A. E.
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Identification of mycobacterial Thymidylate kinase inhibitors: a comprehensive pharmacophore, machine learning, molecular docking, and molecular dynamics simulation studies
errMOLECULAR DIVERSITY
IF3.8
err2024-08-16
err1
errOAAI
errChikhale, Rupesh V.; Pawar, Surbhi Pravin; Kolpe, Mahima Sudhir; Shinde, Omkar Dilip; Dahlous, Kholood A.; Mohammad, Saikh; Patil, Pritee Chunarkar; Bhowmick, Shovonlal
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SARS-CoV-2 inhibitory potential of fish oil-derived 2-pyrone compounds by acquiring linoleic acid binding site on the spike protein通过在刺突蛋白上获得亚油酸结合位点来SARS-CoV-2鱼油衍生的2-吡喃酮化合物的抑制潜力
errINTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
IF8.5
err2024-08-01
err0
PREAI
errDuragkar, Nandkishor; Chikhale, Rupesh; Piechota, Malgorzata; Danta, Chhanda Charan; Gandhale, Pradeep; Itankar, Prakash; Chikhale, Sonali; Gurav, Nilambari; Khan, Mohd Shahnawaz; Pokrzywa, Wojciech; Thapa, Pankaj; Bryce, Richard; Gurav, Shailendra
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QbD-guided phospholipid-tagged nanonized boswellic acid naturosomal delivery for effective rheumatoid arthritis treatmentQbD引导的磷脂标记的纳米化乳香酸自然脂质体递送可有效治疗类风湿关节炎
errinternational journal of pharmaceutics
IF6.4
err2024-06-01
err5
errOAAI
errUsapkar, Poonam; Saoji, Suprit; Jagtap, Pradnya; Ayyanar, Muniappan; Kalaskar, Mohan; Gurav, Nilambari; Nadaf, Sameer; Prasad, Satyendra; Laloo, Damiki; Khan, Mohd Shahnawaz; Chikhale, Rupesh; Gurav, Shailendra
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Evolution and Impact of Nucleic Acid Amplification Test (NAAT) for Diagnosis of Coronavirus Disease
errANALYTICAL CHEMISTRY
IF6.7
err2024-04-30
err4
errOAAI
errKhan, Sumbul Fatma; Rathod, Priyanka; Gupta, Vivek K.; Khedekar, Pramod B.; Chikhale, Rupesh V.
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Identification of Mycobacterium tuberculosis transcriptional repressor EthR inhibitors: Shape-based search and machine learning studies
errHELIYON
IF3.6
err2024-03-01
err4
errOAAI
errChikhale, Rupesh V.; Eldesoky, Gaber E.; Kolpe, Mahima Sudhir; Suryawanshi, Vikramsinh Sardarsinh; Patil, Pritee Chunarkar; Bhowmick, Shovonlal
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研究方向

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合作学者
合作期刊
H
Howard E. Gendelman
H 指数: 111 · 论文数: 662
P
Patrick Sung
H 指数: 88 · 论文数: 392
L
Laurence H. Hurley
H 指数: 85 · 论文数: 358
V
Vivek Gupta
H 指数: 72 · 论文数: 487
P
Pedro L. Rodrı́guez
H 指数: 68 · 论文数: 178
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