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Leaving no stone unturned: Allosteric targeting of SARS-CoV-2 spike protein at putative druggable sites disrupts human angiotensin-converting enzyme interactions at the receptor binding domain

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Informatics in Medicine Unlocked 2020年 21卷 100451页

作者： Olotu, Fisayo A. Omolabi, Kehinde F. Soliman, Mahmoud E.S. Molecular Bio-computation and Drug Design Laboratory School of Health Sciences University of KwaZulu-Natal Westville Campus Durban 4001 South Africa

The systematic entry of SARS-CoV-2 into host cells, as mediated by its Spike (S) protein, is highly essential for pathogenicity in humans. Hence, targeting the viral entry mechanisms remains a major strategy for COVID-19 treatment. Although recent efforts have focused on the direct inhibition of S-protein receptor-binding domain (RBD) interactions with human angiotensin-converting enzyme 2 (hACE2), allosteric targeting remains an unexplored possibility. Therefore, in this study, for the first time, we employed an integrative meta-analytical approach to investigate the allosteric inhibitory mechanisms of SARS-CoV-2 S-protein and its association with hACE2. Findings revealed two druggable sites (Sites 1 and 2) located at the N-terminal domain (NTD) and S2 regions of the protein. Two high-affinity binders;ZINC3939013 (Fosaprepitant – Site 1) and ZINC27990463 (Lomitapide – Site 2) were discovered via site-directed high-throughput screening against a library of ~1500 FDA approved drugs. Interestingly, we observed that allosteric binding of both compounds perturbed the prefusion S-protein conformations, which in turn, resulted in unprecedented hACE2 displacement from the RBD. Estimated ΔG_binds for both compounds were highly favorable due to high-affinity interactions at the target sites. In addition, Site 1 residues;R190, H207, K206 and K187, I101, R102, I119, F192, L226, V126 and W104 were identified for their crucial involvement in the binding and stability of ZINC3939013. Likewise, energy contributions of Q957, N953, Q954, L303, Y313, Q314, L858, V952, N953, and A956 corroborated their importance to ZINC27990463 binding at the predicted Site 2. We believe these findings would pave way for the structure-based discovery of allosteric SARS-CoV-2 S-protein inhibitors for COVID-19 treatment. © 2020 The Author(s)

关键词： Allosteric targeting High-affinity binding Receptor binding domain SARS-CoV-2 Spike protein Virtual high-throughput screening

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In-Silico molecular Docking and Md Simulation Based Lead Identification of Denv-2 Inhibitor from Selected Phytochemicals of Momordica Charantia L

SSRN

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SSRN 2022年

作者： Akm, Moyeenul Huq Roney, Miah Issahaku, Abdul Rashid Soliman, Mahmoud E.S. Aluwi, Mohd Fadhlizil Fasihi Mohd Tajuddin, Saiful Nizam Faculty of Industrial Sciences and Technology Universiti Malaysia Pahang Lebuhraya Tun Razak Gambang Pahang Darul Makmur Kuantan26300 Malaysia Centre for Bio-Aromatic Research Universiti Malaysia Pahang Lebuhraya Tun Razak Gambang Pahang Darul Makmur Kuantan26300 Malaysia Department of Pharmacy School of Medicine University of Asia Pacific 74/A Green Road Dhaka1205 Bangladesh West African Centre for Computational Analysis Ghana Molecular Bio-computation and Drug Design Laboratory School of Health Sciences University of KwaZulu-Natal Westville Campus Durban4001 South Africa University of KwaZulu-Natal South Africa

Due to the annual occurrence of millions of virus diseases, dengue fever is a major global health concern. Unfortunately, there isn't a treatment that has been approved to treat dengue. Researchers are looking into DENV NS5 RdRp protease as a potential therapeutic target for discovering effective dengue treatments. In-silico methods were employed in this study to discover a DENV-2 NS5 RdRp protease inhibitor from a set of five compounds from Bitter melon (Momordica charantia L.). To obtain the hit compounds, the compounds were docked onto the active area of the DENV-2 NS5 RdRp protease. The successful compounds underwent additional testing for a study on drug-likeness similarity. Our study obtained Momordicoside-I as a lead compound which was further exposed to the Cytochrome P450 (CYP450) toxicity analysis to determine the toxicity based on docking scores and drug-likeness inquiry. The lead chemical was next subjected to a molecular dynamic (MD) simulation for 200 ns in order to confirm the stability of the docked complex and the binding posture discovered during docking tests. Overall, the lead chemical has demonstrated good medication like qualities, non-toxicity, and significant binding affinity towards RdRp enzyme. © 2022, The Authors. All rights reserved.

关键词： molecular dynamics

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Angiotensin converting enzyme inhibitors from medicinal plants: a molecular docking and dynamic simulation approach

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In silico pharmacology 2022年第1期10卷 20页

作者： Olumide Samuel Fadahunsi Olubukola Sinbad Olorunnisola Peter Ifeoluwa Adegbola Temitayo I Subair Oluwabamise Emmanuel Elegbeleye Department of Biochemistry Faculty of Basic Medical Sciences Ladoke Akintola University of Technology Ogbomoso Oyo Nigeria. Molecular Bio-Computation and Drug Design Laboratory School of Health Sciences University of KwaZulu-Natal Westville Campus Durban 4001 South Africa.

Angiotensin converting enzyme (ACE) is a key enzyme and mediator in the aetiology of high blood pressure (HBP) and hypertension. As one of the leading cause of untimely death worldwide, there is a lot of research and studies on the management and treatment of hypertension. The usage of medicinal plants in the management of hypertension as alternative to synthetic allopathic drugs is a common practice in folkloric and traditional medicine. Therefore, this study was aimed to investigate the ACE inhibitory activity of some medicinal plants which are commonly used in the treatment of HBP in southwestern part of Nigeria using extensive in-silico approach. Compounds identified in the plants through GC–MS technique, together with Lisinopril were docked against ACE protein. It was observed that only 40 of the compounds had binding affinity ≥ − 6.8 kcal/mol which was demonstrated by the standard drug (lisinopril). Interaction between the compounds and ACE was via conventional hydrogen, carbon hydrogen, alkyl, pi-alkyl, pi-carbon, and Van Der Wall bonds among others. Most of these compounds exhibited drug like properties, without violating majority of the physicochemical descriptors and Lipinski rule of 5. The ADMET evaluation revealed that only 2 compounds (cyclopentadecanone and oxacycloheptadecan-2-one) which were identified in Bacopa florinbunda plant were predicted non-toxic and thus were subjected to molecular dynamics and simulation with ACE. From the molecular dynamics and mechanics analysis, both cyclopentadecanone and oxacycloheptadecan-2-one showed high stability and inhibitory potentials when bound to ACE. Oxacycloheptadecan-2-one was more stable than lisinopril and cyclopentadecanone in the ligand–ACE complex; we therefore suggested its experimental and clinical validation as drug candidates for the treatment of hypertension.

关键词： Angiotensin converting enzyme (ACE) inhibitors Dynamics Hypertension In-silico Medicinal plants molecular docking Simulation

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Targeting castration-resistant prostate cancer with a novel RORγ antagonist elaiophylin

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Acta Pharmaceutica Sinica B 2020年第12期10卷 2313-2322页

作者： Jianwei Zheng Junfeng Wang Qian Wang Hongye Zou Hong Wang Zhenhua Zhang Jianghe Chen Qianqian Wang Panxia Wang Yueshan Zhao Jing Lu Xiaolei Zhang Songtao Xiang Haibin Wang Jinping Lei Hong-Wu Chen Peiqing Liu Yonghong Liu Fanghai Han Junjian Wang School of Pharmaceutical Sciences Sun Yat-sen UniversityGuangzhou 510006China CAS Key Laboratory of Tropical Marine Bio-resources and Ecology/Guangdong Key Laboratory of Marine Materia Medica South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China Department of Biochemistry and Molecular Medicine UC Davis Comprehensive Cancer CenterSchool of MedicineUniversity of CaliforniaDavisSacramentoCA 95817USA Department of Urology the Second Affiliated Hospital of Guangzhou University of Chinese MedicineGuangzhou 510120China Department of Joint Orthopaedic the First Affiliated HospitalGuangzhou University of Chinese MedicineGuangzhou 510405China National-Local Joint Engineering Laboratory of Druggability and New Drugs Evaluation Sun Yat-sen UniversityGuangzhou 510006China Guangdong Provincial Key Laboratory of New Drug Design and Evaluation School of Pharmaceutical SciencesSun Yat-sen UniversityGuangzhou 510006China Department of Gastrointestinal Surgery Sun Yat-sen Memorial HospitalSun Yat-sen UniversityGuangzhou 510120China

Prostate cancer(PCa)patients who progress to metastatic castration-resistant PCa(mCRPC)mostly have poor outcomes due to the lack of effective *** recent study established the orphan nuclear receptor RORγas a novel therapeutic target for ***,we reveal that elaiophylin(Elai),an antibiotic from Actinomycete streptomyces,is a novel RORy antagonist and showed potent antitumor activity against CRPC in vitro and in *** demonstrated that Elai selectively binded to RORy protein and potently blocked RORγtranscriptional regulation ***-activity relationship studies showed that Elai occupied the binding pocket with several key ***,Elai markedly reduced the recruitment of RORγto its genomic DNA response element(RORE),suppressed the expression of RORγtarget genes AR and AR variants,and significantly inhibited PCa cell ***,Elai strongly suppressed tumor growth in both cell line based and patient-derived PCa xenograft *** together,these results suggest that Elai is novel therapeutic RORγinhibitor that can be used as a drug candidate for the treatment of human CRPC.

关键词： RORγ Castration-resistant prostate cancer Nuclear receptor Antagonist Elaiophylin

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Identification of differentially expressed genes present in the whole blood of Pulmonary Arterial Hypertension patients and control patients: An integrated bioinformatics approach

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Informatics in Medicine Unlocked 2020年 20卷

作者： Ezenwa, Chisom Soremekun, Opeyemi S. Nashiru, Oyekanmi Fatumo, Segun Centre for Genomics Research and Innovation National Biotechnology Agency Abuja Nigeria Molecular Bio-computation and Drug Design Laboratory School of Health Science University of KwaZulu-NatalWestville Campus Durban South Africa Uganda Medical Informatics Centre and MRC/UVRI LSHTM Uganda Research Unit Entebbe Uganda London School of Hygiene and Tropical Medicine London United Kingdom

Introduction: While Pulmonary Arterial Hypertension (PAH) remains a commonly undiagnosed disease, it remains a life-threatening disease;it is characterized by pulmonary vascular remodelling subsequently leading to heart failure. Different researches have been at the forefront of exploring drugs for treatment and molecular biomarkers for early diagnosis of PAH. Method: ology: In this study, we used an integrated bioinformatics approach to investigate Differentially Expressed Genes (DEG) in the whole blood of PAH patients relative to gender/age matching controls. Microarray dataset of the aforementioned experiment was retrieved from Gene Expression Omnibus (GEO). DEG analysis was carried out with the aid of the limma algorithm in-built in the GEO2R tool. Gene Ontology terms such as molecular function, biological process, cellular component, and pathway were investigated using the online tool Protein ANalysisTHrough Evolutionary Relationships (PANTHER). Protein-Protein interaction network was carried out using STRING. Results: From the analysis, 191 genes were down-regulated while 5 were up-regulated. Some of these genes are implicated in pathways involved in adrenaline and noradrenaline biosynthesis, angiogenesis, EGF receptor signaling pathway, and VEGF signaling pathway. Furthermore, in the ontology of molecular function, these genes are involved in transport activity, catalytic activity, and molecular transducer activity. Interestingly, the angiogenesis, adrenaline, and noradrenaline biosynthetic pathways are heavily involved in the pathogenesis and progression of PAH. Furthermore, the gene products of these predicted genes were also explored. Conclusion: The gene products (proteins) of these DEGs can be further explored as potential drug targets in the treatment of PAH. This study has also been able to establish the interaction responsible for PAH which can be explored in gene therapy. © 2020 The Authors

关键词： DEGs Enrichment analysis Integrated bioinformatics Pulmonary arterial hypertension RNAseq

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Transcription-translation error: In-silico investigation of the structural and functional impact of deleterious single nucleotide polymorphisms in GULP1 gene

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Informatics in Medicine Unlocked 2021年 22卷 100503页

作者： Soremekun, Opeyemi S. Ezenwa, Chisom Soliman, Mahmoud Chikowore, Tinashe Nashiru, Oyekanmi Fatumo, Segun Molecular Bio-computation and Drug Design Laboratory School of Health Sciences University of KwaZulu-Natal Westville Campus Durban 4001 South Africa Centre for Genomics Research and Innovation National Biotechnology Agency Abuja Nigeria MRC/Wits Developmental Pathways for Health Research Unit Department of Pediatrics Faculty of Health Sciences University of the Witwatersrand Johannesburg South Africa Sydney Brenner Institute for Molecular Bioscience Faculty of Health Sciences University of the Witwatersrand Johannesburg South Africa The African Computational Genomics (TACG) Research Group MRC/UVRI LSHTM Uganda Research Unit Entebbe Uganda Department of Non-communicable Disease Epidemiology (NCDE) London School of Hygiene and Tropical Medicine London United Kingdom

Nonsynonymous single nucleotide polymorphisms (nsSNPs) are one of the most common forms of mutations known to disrupt the product of translation thereby altering the protein structure-function relationship. GULP1 (PTB domain-containing engulfment adaptor protein 1) is an evolutionarily conserved adaptor protein that has been associated with glycated hemoglobin (HbA1c) in Genome-Wide Association Studies (GWAS). In order to understand the role of GULP1 in the etiology of diabetes, it is important to study some functional nsSNPs present within the GULP1 protein. We, therefore, used a SNPinformatics approach to retrieve, classify, and determine the stability effect of some nsSNPs. Y27C, G142D, A144T, and Y149C were jointly predicted by the pathogenic-classifying tools to be disease-causing, however, only G142D, A144T, and Y149C had their structural architecture perturbed as predicted by I-MUTANT and MuPro. Interestingly, G142D and Y149C occur at positions 142 and 149 of GULP1 which coincidentally are found within the binding site of GULP1. Protein-Protein interaction analysis also revealed that GULP1 interacted with 10 proteins such as Cell division cycle 5-like protein (CDC5L), ADP-ribosylation factor 6 (ARF6), Arf-GAP with coiled-coil (ACAP1), and Multiple epidermal growth factor-like domains protein 10 (MEGF10), etc. Taken together, rs1357922096, rs1264999716, and rs128246649 could be used as genetic biomarkers for the diagnosis of diabetes. However, being a computational study, these nsSNPs require experimental validation to explore their metabolic involvement in the pathogenesis of diseases. © 2020

关键词： GULP1 MD Simulation Nonsynonymous single nucleotide polymorphisms (nsSNPs) SNPinformatics

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Author Correction: Identification of recurrent USP48 and BRAF mutations in Cushing's disease (vol 9, 3171, 2018)

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NATURE COMMUNICATIONS 2023年第1期14卷 1页

作者： Chen, Jianhua Jian, Xuemin Deng, Siyu Ma, Zengyi Shou, Xuefei Shen, Yue Zhang, Qilin Song, Zhijian Li, Zhiqiang Peng, Hong Peng, Cheng Chen, Min Luo, Cheng Zhao, Dan Ye, Zhao Shen, Ming Zhang, Yichao Zhou, Juan Fahira, Aamir Wang, Yongfei Li, Shiqi Zhang, Zhaoyun Ye, Hongying Li, Yiming Shen, Jiawei Chen, Hong Tang, Feng Yao, Zhenwei Shi, Zhifeng Chen, Chunjui Xie, Lu Wang, Ye Fu, Chaowei Mao, Ying Zhou, Liangfu Gao, Daming Yan, Hai Zhao, Yao Huang, Chuanxin Shi, Yongyong Shanghai Key Laboratory of Psychotic Disorders Shanghai Mental Health Center Shanghai Jiao Tong University School of Medicine Bio-X Institutes Key Laboratory for the Genetics of Developmental and Neuropsychiatric Disorders (Ministry of Education) and the Collaborative Innovation Center for Brain Science Shanghai Jiao Tong University Shanghai 200030 China Department of Otolaryngology Head and Neck Surgery & Center of Sleep Medicine Shanghai Jiao Tong University Affiliated Sixth People’s Hospital Shanghai 200233 China Institute of Neuropsychiatric Science and Systems Biological Medicine Shanghai Jiao Tong University Shanghai 200030 China Department of Psychiatry First Teaching Hospital of Xinjiang Medical University Urumqi Xinjiang 830054 China The Affiliated Hospital of Qingdao University & The Biomedical Sciences Institute of Qingdao University (Qingdao Branch of SJTU Bio-X Institutes) Qingdao University Qingdao Shandong 266003 China Shanghai Institute of Immunology Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of Education Shanghai Jiao Tong University School of Medicine Shanghai 200025 China Department of Neurosurgery Huashan Hospital Shanghai Medical College Fudan University Shanghai 200040 China Shanghai Pituitary Tumor Center Shanghai 200040 China Institute of Neurosurgery Fudan University Shanghai 200040 China State Key Laboratory of Medical Neurobiology Institute of Neurosurgery Shanghai Medical College Fudan University 200040 Shanghai China Department of Endocrinology Huashan Hospital Shanghai Medical College Fudan University Shanghai 200040 China Department of Pathology Huashan Hospital Shanghai Medical College Fudan University Shanghai 200040 China Department of Radiology Huashan Hospital Shanghai Medical College Fudan University Shanghai 200040 China CAS Key Laboratory of Systems Biology CAS Center for Excellence in Molecular Cell Science Innovation Center for Cell Signaling Network Shanghai Institute of B

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Genetic heterogeneity in cardiovascular disease across ancestries: Insights for mechanisms and therapeutic intervention

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Cambridge prisms. Precision medicine 2023年 1卷 e8页

作者： Opeyemi Soremekun Marie-Joe Dib Skanda Rajasundaram Segun Fatumo Dipender Gill The African Computational Genomics (TACG) Research Group Medical Research Council/Uganda Virus Research Institute and London School of Hygiene and Tropical Medicine Uganda Research Unit Entebbe Uganda. Department of Epidemiology and Biostatistics School of Public Health Imperial College London London UK. Molecular Bio-Computation and Drug Design Laboratory School of Health Sciences University of KwaZulu-Natal Westville Campus Durban South Africa. British Heart Foundation Centre of Excellence Imperial College London London UK. Centre for Evidence-Based Medicine University of Oxford Oxford UK. Faculty of Medicine Imperial College London London UK. Department of Non-Communicable Disease Epidemiology (NCDE) London School of Hygiene and Tropical Medicine London UK.

Cardiovascular diseases (CVDs) are complex in their aetiology, arising due to a combination of genetics, lifestyle and environmental factors. By nature of this complexity, different CVDs vary in their molecular mechanisms, clinical presentation and progression. Although extensive efforts are being made to develop novel therapeutics for CVDs, genetic heterogeneity is often overlooked in the development process. By considering molecular mechanisms at an individual and ancestral level, a richer understanding of the influence of environmental and lifestyle factors can be gained and more refined therapeutic interventions can be developed. It is therefore expedient to understand the molecular and clinical heterogeneity in CVDs that exists across different populations. In this review, we highlight how the mechanisms underlying CVDs vary across diverse population ancestry groups due to genetic heterogeneity. We then discuss how such genetic heterogeneity is being leveraged to inform therapeutic interventions and personalised medicine, highlighting examples across the CVD spectrum. Finally, we present an overview of how polygenic risk scores and Mendelian randomisation can foster more robust insight into disease mechanisms and therapeutic intervention in diverse populations. Fulfilment of the vision of precision medicine requires more exhaustive leveraging of the genetic variability across diverse ancestry populations to improve our understanding of disease onset, progression and response to therapeutic intervention.

关键词： ancestry cardiovascular disease genetics precision medicine therapeutics

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Structural insights into conformational stability of both wild-type and mutant Insulin Receptor Gene

Next Research

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Next Research 2024年第2期1卷

作者： Chisom Soremekun Daudi Jjingo David Kateete Oyekanmi Nash Harald Grallert Annette Peters Tinashe Chikowore Chiara Batini Opeyemi Soremekun Segun Fatumo The African Computational Genomics (TACG) Research Group MRC/UVRI and LSHTM Uganda Research Unit Entebbe Uganda Department of Immunology and Molecular Biology School of Biomedical Sciences Makerere University College of Health Sciences Kampala Uganda H3Africa Bioinformatics Network (H3ABioNet) Node Centre for Genomics Research and Innovation NABDA/FMST Abuja Nigeria Helmholtz Zentrum München German Research Center for Environmental Health (GmbH) Institute of Epidemiology Ingolstädter Landstr. 1 85764 Neuherberg Germany African Center of Excellence in Bioinformatics (ACE-B) Makerere University Kampala 10101 Uganda Department of Computer Science College of Computing and Information Sciences Makerere University P.O Box 7062 Kampala Uganda German Center for Diabetes Research (DZD) München-Neuherberg Ingolstädter Landstr. 1 85764 Neuherberg Germany Chair of Epidemiology Institute for Medical Information Processing Biometry and Epidemiology Medical Faculty Ludwig-Maximilians-Universität München Munich Germany MRC/Wits Developmental Pathways for Health Research Unit Department of Paediatrics Faculty of Health Sciences University of the Witwatersrand Johannesburg South Africa Channing Division of Network Medicine Department of Medicine Brigham and Women's Hospital and Harvard Medical School Boston MA USA Division of Genetics Department of Medicine Brigham and Women's Hospital and Harvard Medical School Boston MA USA Genetic Epidemiology Group Department of Health Sciences University of Leicester Leicester UK Leicester National Institute for Health and Care Research Biomedical Research Centre Glenfield Hospital Leicester UK Institute of Translational Genomics Helmholtz Zentrum München – German Research Center for Environmental Health Neuherberg Germany Molecular Bio-computation and Drug Design Laboratory School of Health Sciences University of KwaZulu-Natal Westville Campus Durban 4001 South Africa MRC/UVRI and LSHTM Uganda Research Unit Entebbe Uganda De

Type 2 diabetes (T2D) poses a health challenge. It can lead to complications such as heart disease, hypertension, heart failure, and stroke. Factors like obesity and lack of activity can contribute to insulin resistance. The insulin receptor gene ( INSR ) is responsible for producing insulin receptors. When this gene malfunctions, it can contribute to the development of T2D. In this study, we investigated the stability of the structure of variants of INSR using an extended molecular dynamics simulation and the perturbation effect of compound CheBI_88339 on the protein structure. During the analysis, we observed that all three systems—the wild-type INSR , the R1191Q variant, and the R1191Q variant bound to compound CheBI_88339 (R1191Q-D) reached equilibrium in 30ns without any instability. Throughout the simulation process, it was generally observed that the wild-type INSR exhibited higher stability than the R1191Q variant and R1191Q-D. The root mean square deviation (RMSD) and root mean square fluctuation (RMSF) of INSR , R1191Q and the variant bound to compound CheBI_88339 (R1191Q-D) are 9.28Å, 10.35Å, 8.65Å, 2.59Å, 2.98Å, and 2.89Å respectively. These values indicate that the mutated INSR introduced levels of deviations and flexibility in the protein structure. However, considering the variant bound to compound CheBI_88339 suggests that this drug may contribute to stabilizing the dynamics of the mutant protein. Overall, our findings shed light on the effect of genetic variants and their impact on protein stability. This research provides further insight into the dynamics of INSR and the potential of CheBI_88339 in targeting INSR . However, this study is computational, and further experimental studies are required.

关键词： Insulin receptor Type-2 diabetes molecular dynamic simulation

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Enantioselective Rhodium‐Catalyzed Addition of Arylboroxines to N‐Unprotected Ketimines: Efficient Synthesis of Cipargamin

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Angewandte Chemie 2019年第45期131卷

作者： Jinbin Zhu Linwei Huang Wei Dong Naikai Li Xingxin Yu Wei‐Ping Deng Wenjun Tang Shanghai Key Laboratory of New Drug Design School of Pharmacy East China University of Science and Technology 130 Mei Long Rd Shanghai 200237 China State Key Laboratory of Bio-Organic and Natural Products Chemistry Center for Excellence in Molecular Synthesis Shanghai Institute of Organic Chemistry Chinese Academy of Sciences 345 Ling Ling Rd Shanghai 200032 China

Highly enantioselective rhodium‐catalyzed addition of arylboroxines to N‐unprotected ketimines is realized for the first time by employing chiral BIBOP‐type ligands with a Rh loading as low as 1 mol %. A range of chiral α‐trifluoromethyl‐α,α‐diaryl α‐tertiary amines or 3‐amino‐3‐aryloxindoles were formed with excellent ee values and yields by employing either WingPhos or PFBO‐BIBOP as the ligand. The method has enabled an efficient enantioselective synthesis of cipargamin.

关键词： Asymmetrische Katalyse Enantioselektivität Ketimine P-Liganden Rhodium

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