Molecular docking analysis reveals differential binding affinities of multiple classes of selective inhibitors towards cancer-associated KRAS mutants

Author:

Mullaguri Sai CharithaORCID,Akula SravaniORCID,Sahoo Partha SarathiORCID,Ashireddygari Vigneshwar ReddyORCID,Mupparapu VyshnavikaORCID,Silveri RavalikaORCID,Prasad Burra V. L. S.ORCID,Kancha Rama KrishnaORCID

Funder

Indian Council of Medical Research

DST-PURSE

Publisher

Springer Science and Business Media LLC

Subject

Agricultural and Biological Sciences (miscellaneous),Environmental Science (miscellaneous),Biotechnology

Reference21 articles.

1. Awad MM, Liu S, Rybkin II, Arbour KC, Dilly J, Zhu VW, Johnson ML, Heist RS, Patil T, Riely GJ, Jacobson JO, Yang X, Persky NS, Root DE, Lowder KE, Feng H, Zhang SS, Haigis KM, Hung YP, Sholl LM, Wolpin BM, Wiese J, Christiansen J, Lee J, Schrock AB, Lim LP, Garg K, Li M, Engstrom LD, Waters L, Lawson JD, Olson P, Lito P, Ou SI, Christensen JG, Jänne PA, Aguirre AJ (2021) Acquired resistance to KRASG12C inhibition in cancer. N Engl J Med 384:2382–2393. https://doi.org/10.1056/NEJMoa2105281

2. Bhardwaj VK, Singh R, Sharma J, Das P, Purohit R (2020) Structural based study to identify new potential inhibitors for dual specificity tyrosine-phosphorylation-regulated kinase. Comput Methods Programs Biomed 194:105494. https://doi.org/10.1016/j.cmpb.2020.105494

3. Canon J, Rex K, Saiki AY, Mohr C, Cooke K, Bagal D, Gaida K, Holt T, Knutson CG, Koppada N, Lanman BA, Werner J, Rapaport AS, San Miguel T, Ortiz R, Osgood T, Sun JR, Zhu X, McCarter JD, Volak LP, Houk BE, Fakih MG, O’Neil BH, Price TJ, Falchook GS, Desai J, Kuo J, Govindan R, Hong DS, Ouyang W, Henary H, Arvedson T, Cee VJ, Lipford JR (2019) The clinical KRAS(G12C) inhibitor AMG 510 drives anti-tumour immunity. Nature 575:217–223. https://doi.org/10.1038/s41586-019-1694-1

4. Fell JB, Fischer JP, Baer BR, Blake JF, Bouhana K, Briere DM, Brown KD, Burgess LE, Burns AC, Burkard MR, Chiang H, Chicarelli MJ, Cook AW, Gaudino JJ, Hallin J, Hanson L, Hartley DP, Hicken EJ, Hingorani GP, Hinklin RJ, Mejia MJ, Olson P, Otten JN, Rhodes SP, Rodriguez ME, Savechenkov P, Smith DJ, Sudhakar N, Sullivan FX, Tang TP, Vigers GP, Wollenberg L, Christensen JG, Marx MA (2020) Identification of the clinical development candidate MRTX849, a Covalent KRASG12C inhibitor for the treatment of cancer. J Med Chem 63:6679–6693. https://doi.org/10.1021/acs.jmedchem.9b02052

5. Guex N, Peitsch MC, Schwede T (2009) Automated comparative protein structure modeling with SWISS-MODEL and Swiss-PdbViewer: A historical perspective. Electrophoresis 30:S162–S173. https://doi.org/10.1002/elps.200900140

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3