Contributors
Olivier Sperandio
Expertises
- chemoinformatics, proteochemometrics, and structural bioinformatics
Published contributions number
- 53 publications
- 0 patents
- 415 compounds
- 868 pharmacological data
- 53 PPI targets
Scientific publications and patents
- Wang Na, Li Fudong, Bao Hongyu, Li Jie, Wu Jihui, Ruan Ke. . NMR Fragment Screening Hit Induces Plasticity of BRD7/9 Bromodomains ChemBioChem.
- Birkinshaw Richard W., Gong Jia-nan, Luo Cindy S., Lio Daisy, White Christine A., Anderson Mary Ann, Blombery Piers, Lessene Guillaume, Majewski Ian J., Thijssen Rachel, Roberts Andrew W., Huang David C. S., Colman Peter M., Czabotar Peter E.. . Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations Nature Communications.
- Hewings David S., Wang Minghua, Philpott Martin, Fedorov Oleg, Uttarkar Sagar, Filippakopoulos Panagis, Picaud Sarah, Vuppusetty Chaitanya, Marsden Brian, Knapp Stefan, Conway Stuart J., Heightman Tom D.. . 3,5-Dimethylisoxazoles Act As Acetyl-lysine-mimetic Bromodomain Ligands Journal of Medicinal Chemistry.
- Fedorov Oleg, Lingard Hannah, Wells Chris, Monteiro Octovia P., Picaud Sarah, Keates Tracy, Yapp Clarence, Philpott Martin, Martin Sarah J., Felletar Ildiko, Marsden Brian D., Filippakopoulos Panagis, Müller Susanne, Knapp Stefan, Brennan Paul E.. . [1,2,4]Triazolo[4,3-a]phthalazines: Inhibitors of Diverse Bromodomains Journal of Medicinal Chemistry.
- Ouyang Liang, Zhang Lan, Liu Jie, Fu Leilei, Yao Dahong, Zhao Yuqian, Zhang Shouyue, Wang Guan, He Gu, Liu Bo. . Discovery of a Small-Molecule Bromodomain-Containing Protein 4 (BRD4) Inhibitor That Induces AMP-Activated Protein Kinase-Modulated Autophagy-Associated Cell Death in Breast Cancer Journal of Medicinal Chemistry.
- Hasvold Lisa A., Sheppard George S., Wang Le, Fidanze Steven D., Liu Dachun, Pratt John K., Mantei Robert A., Wada Carol K., Hubbard Robbert, Shen Yu, Lin Xiaoyu, Huang Xiaoli, Warder Scott E., Wilcox Denise, Li Leiming, Buchanan F. Greg, Smithee Lauren, Albert Daniel H., Magoc Terrance J., Park Chang H., Petros Andrew M., Panchal Sanjay C., Sun Chaohong, Kovar Peter, Soni Nirupama B., Elmore Steven W., Kati Warren M., McDaniel Keith F.. . Methylpyrrole inhibitors of BET bromodomains Bioorganic & Medicinal Chemistry Letters.
- Spiliotopoulos Dimitrios, Zhu Jian, Wamhoff Eike-Christian, Deerain Nicholas, Marchand Jean-Rémy, Aretz Jonas, Rademacher Christoph, Caflisch Amedeo. . Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain Bioorganic & Medicinal Chemistry Letters.
- Van Molle Inge, Thomann Andreas, Buckley Dennis L., So Ernest C., Lang Steffen, Crews Craig M., Ciulli Alessio. . Dissecting Fragment-Based Lead Discovery at the von Hippel-Lindau Protein:Hypoxia Inducible Factor 1α Protein-Protein Interface Chemistry & Biology.
- Shima F., Yoshikawa Y., Ye M., Araki M., Matsumoto S., Liao J., Hu L., Sugimoto T., Ijiri Y., Takeda A., Nishiyama Y., Sato C., Muraoka S., Tamura A., Osoda T., Tsuda K.-i., Miyakawa T., Fukunishi H., Shimada J., Kumasaka T., Yamamoto M., Kataoka T.. . In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction Proceedings of the National Academy of Sciences.
- Silvian LF, Friedman JE, Strauch K, Cachero TG, Day ES, Qian F, Cunningham B, Fung A, Sun L, Shipps GW, Su L, Zheng Z, Kumaravel G, Whitty A. . Small molecule inhibition of the TNF family cytokine CD40 ligand through a subunit fracture mechanism. ACS chemical biology.
- Petrassi H. Michael, Klabunde Thomas, Sacchettini James, Kelly Jeffery W.. . Structure-Based Design ofN-Phenyl Phenoxazine Transthyretin Amyloid Fibril Inhibitors Journal of the American Chemical Society.
- Rickenbacher U, McKinney JD, Oatley SJ, Blake CC. . Structurally specific binding of halogenated biphenyls to thyroxine transport protein. Journal of medicinal chemistry.
- Wang ZY, Seto H, Fujioka S, Yoshida S, Chory J. . BRI1 is a critical component of a plasma-membrane receptor for plant steroids. Nature.
- Adamski-Werner Sara L., Palaninathan Satheesh K., Sacchettini James C., Kelly Jeffery W.. . Diflunisal Analogues Stabilize the Native State of Transthyretin. Potent Inhibition of Amyloidogenesis Journal of Medicinal Chemistry.
- Purkey HE, Palaninathan SK, Kent KC, Smith C, Safe SH, Sacchettini JC, Kelly JW. . Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity. Chemistry & biology.
- He M. M.. . Small-Molecule Inhibition of TNF- Science.
- Wendt Michael D., Sun Chaohong, Kunzer Aaron, Sauer Daryl, Sarris Kathy, Hoff Ethan, Yu Liping, Nettesheim David G., Chen Jun, Jin Sha, Comess Kenneth M., Fan Yihong, Anderson Steven N., Isaac Binumol, Olejniczak Edward T., Hajduk Philip J., Rosenberg Saul H., Elmore Steven W.. . Discovery of a novel small molecule binding site of human survivin Bioorganic & Medicinal Chemistry Letters.
- Gupta Sarika, Chhibber Manmohan, Sinha Sharmistha, Surolia Avadhesha. . Design of Mechanism-Based Inhibitors of Transthyretin Amyloidosis: Studies with Biphenyl Ethers and New Structural Templates Journal of Medicinal Chemistry.
- González Asensio, Quirante Josefina, Nieto Joan, Almeida Maria Rosário, Saraiva Maria Joao, Planas Antoni, Arsequell Gemma, Valencia Gregorio. . Isatin derivatives, a novel class of transthyretin fibrillogenesis inhibitors Bioorganic & Medicinal Chemistry Letters.
- Lima Luis Mauricio T.R., Silva Vivian de Almeida, Palmieri Leonardo de Castro, Oliveira Maria Clara B.R., Foguel Débora, Polikarpov Igor. . Identification of a novel ligand binding motif in the transthyretin channel Bioorganic & Medicinal Chemistry.
- Rose Rolf, Erdmann Silke, Bovens Stefanie, Wolf Alexander, Rose Micheline, Hennig Sven, Waldmann Herbert, Ottmann Christian. . Identification and Structure of Small-Molecule Stabilizers of 14-3-3 Protein-Protein Interactions Angewandte Chemie International Edition.
- Sheard Laura B., Tan Xu, Mao Haibin, Withers John, Ben-Nissan Gili, Hinds Thomas R., Kobayashi Yuichi, Hsu Fong-Fu, Sharon Michal, Browse John, He Sheng Yang, Rizo Josep, Howe Gregg A., Zheng Ning. . Jasmonate perception by inositol-phosphate-potentiated COI1–JAZ co-receptor Nature.
- Gerritz S. W., Cianci C., Kim S., Pearce B. C., Deminie C., Discotto L., McAuliffe B., Minassian B. F., Shi S., Zhu S., Zhai W., Pendri A., Li G., Poss M. A., Edavettal S., McDonnell P. A., Lewis H. A., Maskos K., Mortl M., Kiefersauer R., Steinbacher S., Baldwin E. T., Metzler W., Bryson J., Healy M. D., Philip T., Zoeckler M., Schartman R., Sinz M., Leyva-Grado V. H., Hoffmann H.-H., Langley D. R., Meanwell N. A., Krystal M.. . Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers Proceedings of the National Academy of Sciences.
- Tan Zongqing, Wortman Matthew, Dillehay Kelsey L., Seibel William L., Evelyn Chris R., Smith Shanna J., Malkas Linda H., Zheng Yi, Lu Shan, Dong Zhongyun. . Small-Molecule Targeting of Proliferating Cell Nuclear Antigen Chromatin Association Inhibits Tumor Cell Growth Molecular Pharmacology.
- Richter Anja, Rose Rolf, Hedberg Christian, Waldmann Herbert, Ottmann Christian. . An Optimised Small-Molecule Stabiliser of the 14-3-3-PMA2 Protein-Protein Interaction Chemistry - A European Journal.
- Bulawa C. E., Connelly S., DeVit M., Wang L., Weigel C., Fleming J. A., Packman J., Powers E. T., Wiseman R. L., Foss T. R., Wilson I. A., Kelly J. W., Labaudiniere R.. . Tafamidis, a potent and selective transthyretin kinetic stabilizer that inhibits the amyloid cascade Proceedings of the National Academy of Sciences.
- Graves B., Thompson T., Xia M., Janson C., Lukacs C., Deo D., Di Lello P., Fry D., Garvie C., Huang K.-S., Gao L., Tovar C., Lovey A., Wanner J., Vassilev L. T.. . Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization Proceedings of the National Academy of Sciences.
- Zhang Miao, Pascal John M., Schumann Marcel, Armen Roger S., Zhang Ji-Fang. . Identification of the functional binding pocket for compounds targeting small-conductance Ca2+-activated potassium channels Nature Communications.
- Anders Carolin, Higuchi Yusuke, Koschinsky Kristin, Bartel Maria, Schumacher Benjamin, Thiel Philipp, Nitta Hajime, Preisig-Müller Regina, Schlichthörl Günter, Renigunta Vijay, Ohkanda Junko, Daut Jürgen, Kato Nobuo, Ottmann Christian. . A Semisynthetic Fusicoccane Stabilizes a Protein-Protein Interaction and Enhances the Expression of K+ Channels at the Cell Surface Chemistry & Biology.
- De Vries-van Leeuwen I. J., da Costa Pereira D., Flach K. D., Piersma S. R., Haase C., Bier D., Yalcin Z., Michalides R., Feenstra K. A., Jimenez C. R., de Greef T. F. A., Brunsveld L., Ottmann C., Zwart W., de Boer A. H.. . Interaction of 14-3-3 proteins with the Estrogen Receptor Alpha F domain provides a drug target interface Proceedings of the National Academy of Sciences.
- Margueron Raphael, Justin Neil, Ohno Katsuhito, Sharpe Miriam L., Son Jinsook, Drury III William J., Voigt Philipp, Martin Stephen R., Taylor William R., De Marco Valeria, Pirrotta Vincenzo, Reinberg Danny, Gamblin Steven J.. . Role of the polycomb protein EED in the propagation of repressive histone marks Nature.
- He Yupeng, Selvaraju Sujatha, Curtin Michael L, Jakob Clarissa G, Zhu Haizhong, Comess Kenneth M, Shaw Bailin, The Juliana, Lima-Fernandes Evelyne, Szewczyk Magdalena M, Cheng Dong, Klinge Kelly L, Li Huan-Qiu, Pliushchev Marina, Algire Mikkel A, Maag David, Guo Jun, Dietrich Justin, Panchal Sanjay C, Petros Andrew M, Sweis Ramzi F, Torrent Maricel, Bigelow Lance J, Senisterra Guillermo, Li Fengling, Kennedy Steven, Wu Qin, Osterling Donald J, Lindley David J, Gao Wenqing, Galasinski Scott, Barsyte-Lovejoy Dalia, Vedadi Masoud, Buchanan Fritz G, Arrowsmith Cheryl H, Chiang Gary G, Sun Chaohong, Pappano William N. . The EED protein–protein interaction inhibitor A-395 inactivates the PRC2 complex Nature Chemical Biology.
- Lee Chul-Hwan, Yu Jia-Ray, Kumar Sunil, Jin Ying, LeRoy Gary, Bhanu Natarajan, Kaneko Syuzo, Garcia Benjamin A., Hamilton Andrew D., Reinberg Danny. . Allosteric Activation Dictates PRC2 Activity Independent of Its Recruitment to Chromatin Molecular Cell.
- Karatas Hacer, Li Yangbing, Liu Liu, Ji Jiao, Lee Shirley, Chen Yong, Yang Jiuling, Huang Liyue, Bernard Denzil, Xu Jing, Townsend Elizabeth C., Cao Fang, Ran Xu, Li Xiaoqin, Wen Bo, Sun Duxin, Stuckey Jeanne A, Lei Ming, Dou Yali, Wang Shaomeng. . Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)–Mixed Lineage Leukemia (MLL) Protein–Protein Interaction Journal of Medicinal Chemistry.
- Amato Anastasia, Lucas Xavier, Bortoluzzi Alessio, Wright David, Ciulli Alessio. . Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach ACS Chemical Biology.
- Aho Erin R., Wang Jing, Gogliotti Rocco D., Howard Gregory C., Phan Jason, Acharya Pankaj, Macdonald Jonathan D., Cheng Ken, Lorey Shelly L., Lu Bin, Wenzel Sabine, Foshage Audra M., Alvarado Joseph, Wang Feng, Shaw J. Grace, Zhao Bin, Weissmiller April M., Thomas Lance R., Vakoc Christopher R., Hall Matthew D., Hiebert Scott W., Liu Qi, Stauffer Shaun R., Fesik Stephen W., Tansey William P.. . Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity Cell Reports.
- Grebien Florian, Vedadi Masoud, Getlik Matthäus, Giambruno Roberto, Grover Amit, Avellino Roberto, Skucha Anna, Vittori Sarah, Kuznetsova Ekaterina, Smil David, Barsyte-Lovejoy Dalia, Li Fengling, Poda Gennadiy, Schapira Matthieu, Wu Hong, Dong Aiping, Senisterra Guillermo, Stukalov Alexey, Huber Kilian V M, Schönegger Andreas, Marcellus Richard, Bilban Martin, Bock Christoph, Brown Peter J, Zuber Johannes, Bennett Keiryn L, Al-awar Rima, Delwel Ruud, Nerlov Claus, Arrowsmith Cheryl H, Superti-Furga Giulio. . Pharmacological targeting of the Wdr5-MLL interaction in C/EBPα N-terminal leukemia Nature Chemical Biology.
- Moustakim Moses, Christott Thomas, Monteiro Octovia P., Bennett James, Giroud Charline, Ward Jennifer, Rogers Catherine M., Smith Paul, Panagakou Ioanna, Díaz-Sáez Laura, Felce Suet Ling, Gamble Vicki, Gileadi Carina, Halidi Nadia, Heidenreich David, Chaikuad Apirat, Knapp Stefan, Huber Kilian V. M., Farnie Gillian, Heer Jag, Manevski Nenad, Poda Gennady, Al-awar Rima, Dixon Darren J., Brennan Paul E., Fedorov Oleg. . Discovery of an MLLT1/3 YEATS Domain Chemical Probe Angewandte Chemie International Edition.
- Miller Thomas C. R., Rutherford Trevor J., Birchall Kristian, Chugh Jasveen, Fiedler Marc, Bienz Mariann. . Competitive Binding of a Benzimidazole to the Histone-Binding Pocket of the Pygo PHD Finger ACS Chemical Biology.
- Xiong Yan, Greschik Holger, Johansson Catrine, Seifert Ludwig, Bacher Johannes, Park Kwang-su, Babault Nicolas, Martini Michael, Fagan Vincent, Li Fengling, Chau Irene, Christott Thomas, Dilworth David, Barsyte-Lovejoy Dalia, Vedadi Masoud, Arrowsmith Cheryl H., Brennan Paul, Fedorov Oleg, Jung Manfred, Farnie Gillian, Liu Jing, Oppermann Udo, Schüle Roland, Jin Jian. . Discovery of a Potent and Selective Fragment-like Inhibitor of Methyllysine Reader Protein Spindlin 1 (SPIN1) Journal of Medicinal Chemistry.
- Bae Narkhyun, Viviano Monica, Su Xiaonan, Lv Jie, Cheng Donghang, Sagum Cari, Castellano Sabrina, Bai Xue, Johnson Claire, Khalil Mahmoud Ibrahim, Shen Jianjun, Chen Kaifu, Li Haitao, Sbardella Gianluca, Bedford Mark T. . Developing Spindlin1 small-molecule inhibitors by using protein microarrays Nature Chemical Biology.
- Wagner Tobias, Greschik Holger, Burgahn Teresa, Schmidtkunz Karin, Schott Anne-Kathrin, McMillan Joel, Baranauskienė Lina, Xiong Yan, Fedorov Oleg, Jin Jian, Oppermann Udo, Matulis Daumantas, Schüle Roland, Jung Manfred. . Identification of a small-molecule ligand of the epigenetic reader protein Spindlin1 via a versatile screening platform Nucleic Acids Research.
- Fagan Vincent, Johansson Catrine, Gileadi Carina, Monteiro Octovia, Dunford James E., Nibhani Reshma, Philpott Martin, Malzahn Jessica, Wells Graham, Faram Ruth, Cribbs Adam P., Halidi Nadia, Li Fengling, Chau Irene, Greschik Holger, Velupillai Srikannathasan, Allali-Hassani Abdellah, Bennett James, Christott Thomas, Giroud Charline, Lewis Andrew M., Huber Kilian V. M., Athanasou Nick, Bountra Chas, Jung Manfred, Schüle Roland, Vedadi Masoud, Arrowsmith Cheryl, Xiong Yan, Jin Jian, Fedorov Oleg, Farnie Gillian, Brennan Paul E., Oppermann Udo. . A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function Journal of Medicinal Chemistry.
- Senisterra Guillermo, Zhu Hugh Y., Luo Xiao, Zhang Hailong, Xun Guoliang, Lu Chunliang, Xiao Wen, Hajian Taraneh, Loppnau Peter, Chau Irene, Li Fengling, Allali-Hassani Abdellah, Atadja Peter, Oyang Counde, Li En, Brown Peter J., Arrowsmith Cheryl H., Zhao Kehao, Yu Zhengtian, Vedadi Masoud. . Discovery of Small-Molecule Antagonists of the H3K9me3 Binding to UHRF1 Tandem Tudor Domain SLAS DISCOVERY: Advancing the Science of Drug Discovery.
- Mader Pavel, Mendoza-Sanchez Rodrigo, Iqbal Aman, Dong Aiping, Dobrovetsky Elena, Corless Victoria B., Liew Sean K., Houliston Scott R., De Freitas Renato Ferreira, Smil David, Sena Carlo C. Dela, Kennedy Steven, Diaz Diego B., Wu Hong, Dombrovski Ludmila, Allali-Hassani Abdellah, Min Jinrong, Schapira Matthieu, Vedadi Masoud, Brown Peter J., Santhakumar Vijayaratnam, Yudin Andrei K., Arrowsmith Cheryl H.. . Identification and characterization of the first fragment hits for SETDB1 Tudor domain Bioorganic & Medicinal Chemistry.
- Perfetti Michael T., Baughman Brandi M., Dickson Bradley M., Mu Yunxiang, Cui Gaofeng, Mader Pavel, Dong Aiping, Norris Jacqueline L., Rothbart Scott B., Strahl Brian D., Brown Peter J., Janzen William P., Arrowsmith Cheryl H., Mer Georges, McBride Kevin M., James Lindsey I., Frye Stephen V.. . Identification of a Fragment-like Small Molecule Ligand for the Methyl-lysine Binding Protein, 53BP1 ACS Chemical Biology.
- Cunningham L, Finckbeiner S, Hyde RK, Southall N, Marugan J, Yedavalli VR, Dehdashti SJ, Reinhold WC, Alemu L, Zhao L, Yeh JR, Sood R, Pommier Y, Austin CP, Jeang KT, Zheng W, Liu P. . Identification of benzodiazepine Ro5-3335 as an inhibitor of CBF leukemia through quantitative high throughput screen against RUNX1-CBFβ interaction. Proceedings of the National Academy of Sciences of the United States of America.
- Gao Xiaopan, Qin Bo, Chen Pu, Zhu Kaixiang, Hou Pengjiao, Wojdyla Justyna Aleksandra, Wang Meitian, Cui Sheng. . Crystal structure of SARS-CoV-2 papain-like protease Acta Pharmaceutica Sinica B.
- Stachel Shawn J., Ginnetti Anthony T., Johnson Scott A., Cramer Paige, Wang Yi, Bukhtiyarova Marina, Krosky Daniel, Stump Craig, Hurzy Danielle M., Schlegel Kelly-Ann, Cooke Andrew J., Allen Samantha, O'Donnell Gregory, Ziebell Michael, Parthasarathy Gopal, Getty Krista L., Ho Thu, Ou Yangsi, Jovanovska Aneta, Carroll Steve S., Pausch Mark, Lumb Kevin, Mosser Scott D., Voleti Bhavya, Klein Daniel J., Soisson Stephen M., Zerbinatti Celina, Coleman Paul J.. . Identification of potent inhibitors of the sortilin-progranulin interaction Bioorganic & Medicinal Chemistry Letters.
- Paulsen Janet L., Yu Haoyu S., Sindhikara Dan, Wang Lingle, Appleby Todd, Villaseñor Armando G., Schmitz Uli, Shivakumar Devleena. . Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis Journal of Chemical Information and Modeling.
- Leger Paul R., Hu Dennis X., Biannic Berenger, Bui Minna, Han Xinping, Karbarz Emily, Maung Jack, Okano Akinori, Osipov Maksim, Shibuya Grant M., Young Kyle, Higgs Christopher, Abraham Betty, Bradford Delia, Cho Cynthia, Colas Christophe, Jacobson Scott, Ohol Yamini M., Pookot Deepa, Rana Payal, Sanchez Jerick, Shah Niket, Sun Michael, Wong Steve, Brockstedt Dirk G., Kassner Paul D., Schwarz Jacob B., Wustrow David J.. . Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity Journal of Medicinal Chemistry.
- Lazzara Phillip R., Jain Atul D., Maldonado Amanda C., Richardson Benjamin, Skowron Kornelia J., David Brian P., Siddiqui Zamia, Ratia Kiira M., Moore Terry W.. . Synthesis and Evaluation of Noncovalent Naphthalene-Based KEAP1-NRF2 Inhibitors ACS Medicinal Chemistry Letters.
- Li Xiao-Ping, Harijan Rajesh K., Kahn Jennifer N., Schramm Vern L., Tumer Nilgun E.. . Small Molecule Inhibitors Targeting the Interaction of Ricin Toxin A Subunit with Ribosomes ACS Infectious Diseases.