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31. Le Goff, G.; Martin, M. T.; Iorga, B. I.; Adelin, E.; Servy, C.; Cortial, S.; Ouazzani, J. Isolation and characterization of unusual hydrazides from Streptomyces sp. Impact of the cultivation support and extraction procedure. J. Nat. Prod. 2013, 76, 142-149. (HTML) (HAL)
30. Chauvin, B.; Iorga, B. I.; Chaminade, P.; Paul, J.-L.; Maillard, P.; Prognon, P.; Kasselouri, A. Plasma distribution of tetraphenylporphyrin derivatives relevant for Photodynamic Therapy: Importance and limits of hydrophobicity. Eur. J. Pharm. Biopharm. 2013, 83, 244-252. (HTML) (HAL) (HAL Full-text)
29. Cannillo, A.; Norsikian, S.; Retailleau, P.; Tran Huu Dau, M.-E.; Iorga, B. I.; Beau, J.-M. Fast synthesis of complex enantiopure heterocyclic scaffolds by a tandem sequence of simple transformations on α-hydroxyaldehydes. Chem. – Eur. J. 2013, 19, 9127-9131. (HTML) (HAL)
28. Bernadat, G.; Supuran, C. T.; Iorga, B. I. Carbonic anhydrase binding site parameterization in OPLS-AA force field. Bioorg. Med. Chem. 2013, 21, 1427-1430. (HTML) (HAL) (HAL Full-text)
27. Surpateanu, G.; Soulé, J.-F.; Beau, J.-M.; Norsikian, S.; Iorga, B. I. Conformational study of glycal-type neuraminidase inhibitors. J. Carbohydr. Chem. 2012, 31, 114-129. (HTML) (HAL) (HAL Full-text)
26. Surpateanu, G.; Iorga, B. I. Evaluation of docking performance in a blinded virtual screening of fragment-like trypsin inhibitors. J. Comput. Aided Mol. Des. 2012, 26, 595-601. (HTML) (HAL) (HAL Full-text)
25. Nguyen, T. B.; Lozach, O.; Surpateanu, G.; Wang, Q.; Retailleau, P.; Iorga, B. I.; Meijer, L.; Guéritte, F. Synthesis, biological evaluation, and molecular modeling of natural and unnatural flavonoidal alkaloids, inhibitors of kinases. J. Med. Chem. 2012, 55, 2811-2819. (HTML) (HAL)
24. Maxim, C.; Branzea, D.; Allain, M.; Andruh, M.; Clérac, R.; Iorga, B. I.; Avarvari, N. Cyanomethylene-bis(phosphonate) as ditopical ligand: Stepwise formation of a 2-D heterometallic Fe(III)-Ag(I) coordination network. CrystEngComm 2012, 14, 3096-3102. (HTML) (HAL) (HAL Full-text)
23. Jackson, J. J.; Stivala, C. E.; Iorga, B. I.; Molgó, J.; Zakarian, A. Stability of cyclic imine toxins: Interconversion of pinnatoxin amino ketone and pinnatoxin A in aqueous media. J. Org. Chem. 2012, 77, 10435-10440. (HTML) (HAL) (PMC) (PMC Full-text)
22. Beckstein, O.; Iorga, B. I. Prediction of hydration free energies for aliphatic and aromatic chloro derivatives using molecular dynamics simulations with the OPLS-AA force field. J. Comput. Aided Mol. Des. 2012, 26, 635-645. (HTML) (HAL) (HAL Full-text)
21. Rouleau, J.; Iorga, B. I.; Guillou, C. New potent human acetylcholinesterase inhibitors in the tetracyclic triterpene series with inhibitory potency on amyloid beta aggregation. Eur. J. Med. Chem. 2011, 46, 2193-2205. (HTML) (HAL) (HAL Full-text)
20. Pons, V.; Beaumont, S.; Tran Huu Dau, M. E.; Iorga, B. I.; Dodd, R. H. Rigid analogues of antimitotic indolobenzazepinones: New insights into tubulin binding via molecular modeling. ACS Med. Chem. Lett. 2011, 2, 565-570. (HTML) (HAL) (PMC) (PMC Full-text)
19. Mazzaferro, S.; Bouchemal, K.; Gallard, J.-F.; Iorga, B. I.; Cheron, M.; Gueutin, C.; Steinmesse, C.; Ponchel, G. Bivalent sequential binding of docetaxel to methyl-β-cyclodextrin. Int. J. Pharm. 2011, 416, 171-180. (HTML) (HAL)
18. Liu, J.; Dumontet, V.; Simonin, A.-L.; Iorga, B. I.; Guerineau, V.; Litaudon, M.; Nguyen, V. H.; Guéritte, F. Benzofurans from Styrax agrestis as acetylcholinesterase inhibitors: Structure-activity relationships and molecular modeling studies. J. Nat. Prod. 2011, 74, 2081-2088. (HTML) (HAL)
17. Aráoz, R.; Servent, D.; Molgó, J.; Iorga, B. I.; Fruchart-Gaillard, C.; Benoit, E.; Gu, Z.; Stivala, C.; Zakarian, A. Total synthesis of pinnatoxins A and G and revision of the mode of action of pinnatoxin A. J. Am. Chem. Soc. 2011, 133, 10499-10511. (HTML)
16. Dias, D.; Roux, C.; Durand, P.; Iorga, B.; Badet-Denisot, M.; Badet, B.; Alves, R. Design, synthesis and in vitro evaluation on glucosamine-6P synthase of aromatic analogs of 2-aminohexitols-6P. J. Braz. Chem. Soc. 2010, 21, 680-685. (HTML) (HAL) (OpenAccess)
15. Cortial, S.; Chaignon, P.; Iorga, B. I.; Aymerich, S.; Truan, G.; Gueguen-Chaignon, V.; Meyer, P.; Morera, S.; Ouazzani, J. NADH oxidase activity of Bacillus subtilis nitroreductase NfrA1: Insight into its biological role. FEBS Lett. 2010, 584, 3916-3922. (HTML) (HAL)
14. Varin, M.; Barré, E.; Iorga, B.; Guillou, C. Diastereoselective total synthesis of (±)-codeine. Chem. – Eur. J. 2008, 14, 6606-6608. (HTML) (HAL)
13. Varin, M.; Chiaroni, A.; Lallemand, J. Y.; Iorga, B.; Guillou, C. A new access to dihydrotropones through ring expansion of spirocyclohexadienones: Synthesis and mechanism. J. Org. Chem. 2007, 72, 6421-6426. (HTML) (HAL) (HAL Full-text)
12. Iorga, B.; Herlem, D.; Barré, E.; Guillou, C. Acetylcholine nicotinic receptors: Finding the putative binding site of allosteric modulators using the “blind docking” approach. J. Mol. Model. 2006, 12, 366-372. (HTML) (HAL) (HAL Full-text)
11. Iorga, B.; Campagne, J.-M. Ethyl propiolate: A simple and convenient peptide coupling reagent. Synlett 2004, 1826-1828. (HTML) (HAL)
10. Iorga, B.; Savignac, P. Controlled monohalogenation of phosphonates Part IV. Selective synthesis of monohalomethylenediphosphonates. J. Organomet. Chem. 2001, 624, 203-207. (HTML) (HAL) (HAL Full-text)
9. Scozzafava, A.; Iorga, B.; Supuran, C. T. Carbonic anhydrase activators: Part 22. Synthesis of high affinity isozymes I, II and IV activators, derivatives of 4-(4-tosylureido-amino acyl)ethyl-1H-imidazole (histamine derivatives). J. Enz. Inhib. 2000, 15, 139-161. (HTML) (HAL) (OpenAccess)
8. Iorga, B.; Ricard, L.; Savignac, P. Carbanionic displacement reactions at phosphorus. Part III. Cyanomethylphosphonate vs. cyanomethylenediphosphonate. Synthesis and solid-state structures. J. Chem. Soc., Perkin Trans. 1 2000, 3311-3316. (HTML) (HAL) (HAL Full-text)
7. Iorga, B.; Eymery, F.; Savignac, P. Controlled monohalogenation of phosphonates. Part II. Preparation of pure diethyl alpha-monohalogenated alkylphosphonates. Synthesis 2000, 576-580. (HTML) (HAL) (HAL Full-text)
6. Clare, B. W.; Scozzafava, A.; Briganti, F.; Iorga, B.; Supuran, C. T. Protease inhibitors. Part 2. Weakly basic thrombin inhibitors incorporating sulfonyl-aminoguanidine moieties as S1 anchoring groups: synthesis and structure-activity correlations. J. Enz. Inhib. 2000, 15, 235-264. (HTML) (HAL) (OpenAccess)
5. Iorga, B.; Eymery, F.; Savignac, P. Controlled monohalogenation of phosphonates: A new route to pure α-monohalogenated diethyl benzylphosphonates. Tetrahedron 1999, 55, 2671-2686. (HTML) (HAL) (HAL Full-text)
4. Supuran, C. T.; Scozzafava, A.; Ilies, M. A.; Iorga, B.; Cristea, T.; Briganti, F.; Chiraleu, F.; Banciu, M. D. Carbonic anhydrase inhibitors. Part 53. Synthesis of substituted-pyridinium derivatives of aromatic sulfonamides: the first non-polymeric membrane-impermeable inhibitors with selectivity for isoenzyme IV. Eur. J. Med. Chem. 1998, 33, 577-594. (HTML) (HAL)
3. Iorga, B.; Eymery, F.; Savignac, P. A highly selective synthesis of alpha-monofluoro- and alpha-monochlorobenzylphosphonates using electrophilic halogenation of benzylphosphonates carbanions. Tetrahedron Lett. 1998, 39, 3693-3696. (HTML) (HAL) (HAL Full-text)
2. Iorga, B.; Eymery, F.; Savignac, P. An efficient synthesis of tetraethyl fluoromethylenediphosphonate and derivatives from diethyl dibromofluoromethylphosphonate. Tetrahedron Lett. 1998, 39, 4477-4480. (HTML) (HAL) (HAL Full-text)
1. Iorga, B.; Mouriès, V.; Savignac, P. Carbanionic displacement reactions at phosphorus: Synthesis and reactivity of 5,5-dimethyl-2-oxo-2-(1,3-dithian-2-yl)-1,3,2-dioxaphosphorinane. Bull. Soc. Chim. Fr. 1997, 134, 891-895. (HTML) (HAL) (HAL Full-text)
13. Denakpo, E.; Naas, T.; Iorga, B. I. An updated patent review of metallo-β-lactamase inhibitors (2020-2023). Expert Opin. Ther. Pat. 2023, . (HTML)
12. Philippon, A.; Arlet, G.; Labia, R.; Iorga, B. I. Class C β-lactamases: Molecular characteristics. Clin. Microbiol. Rev. 2022, 35, e0015021. (HTML) (HAL) (HAL Full-text)
11. Collet, J. F.; Cho, S. H.; Iorga, B. I.; Goemans, C. V. How the assembly and protection of the bacterial cell envelope depend on cysteine residues. J. Biol. Chem. 2020, 295, 11984-11994. (HTML) (HAL) (OpenAccess)
10. Molgó, J.; Marchot, P.; Aráoz, R.; Benoit, E.; Iorga, B. I.; Zakarian, A.; Taylor, P.; Bourne, Y.; Servent, D. Cyclic imine toxins from dinoflagellates: a growing family of potent antagonists of the nicotinic acetylcholine receptors. J. Neurochem. 2017, 142 Suppl 2, 41-51. (HTML) (HAL) (OpenAccess)
9. Naas, T.; Dortet, L.; Iorga, B. I. Structural and functional aspects of class A carbapenemases. Curr. Drug Targets 2016, 17, 1006-1028. (HTML) (HAL) (OpenAccess)
8. Molgó, J.; Aráoz, R.; Benoit, E.; Iorga, B. I. Physical and virtual screening methods for marine toxins and drug discovery targeting nicotinic acetylcholine receptors. Exp. Opin. Drug Discov. 2013, 8, 1203-1223. (HTML) (HAL)
7. Iorga, B.; Savignac, P. Controlled reactivity of phosphonates by temporary silicon connection. Synlett 2001, 447-457. (HTML) (HAL) (HAL Full-text)
6. Iorga, B.; Eymery, F.; Carmichael, D.; Savignac, P. Dialkyl 1-alkynylphosphonates: A range of promising reagents. Eur. J. Org. Chem. 2000, 3103-3115. (HTML) (HAL) (HAL Full-text)
5. Iorga, B.; Carmichael, D.; Savignac, P. Phosphonate-phosphonochloridate conversion. C.R. Acad. Sci. II C 2000, 3, 821-829. (HTML) (HAL) (HAL Full-text)
4. Eymery, F.; Iorga, B.; Savignac, P. The usefulness of phosphorus compounds in alkyne synthesis. Synthesis 2000, 185-213. (HTML) (HAL) (HAL Full-text)
3. Iorga, B.; Eymery, F.; Savignac, P. The syntheses and properties of 1,2-epoxyalkylphosphonates. Synthesis 1999, 207-224. (HTML) (HAL) (HAL Full-text)
2. Eymery, F.; Iorga, B.; Savignac, P. Synthesis of phosphonates by nucleophilic substitution at phosphorus: The SN P(V) reaction. Tetrahedron 1999, 55, 13109-13150. (HTML) (HAL)
1. Iorga, B.; Eymery, F.; Mouries, V.; Savignac, P. Phosphorylated aldehydes: Preparations and synthetic uses. Tetrahedron 1998, 54, 14637-14677. (HTML) (HAL) (HAL Full-text)
8. Denakpo, E.; Arlet, G.; Philippon, A.; Iorga, B. I., Chapter 3.2 – Metallo-β-lactamases. In Metalloenzymes, Supuran, C. T.; Donald, W. A., Eds. Academic Press: 2024; pp. 157-184. (HTML) (HAL) (HAL Full-text)
7. Tielker, N.; Eberlein, L.; Beckstein, O.; Güssregen, S.; Iorga, B. I.; Kast, S. M.; Liu, S., Perspective on the SAMPL and D3R blind prediction challenges for physics-based free energy methods. In Free energy methods in drug discovery: Current state and future directions, American Chemical Society: 2021; Vol. 1397, pp. 67-107. (HTML) (HAL) (HAL Full-text)
6. Selwa, E.; Iorga, B. I., In silico self-assembly of nanoparticles with applications in drug delivery. In Control of amphiphile self-assembling at the molecular level: Supra-molecular assemblies with tuned physicochemical properties for delivery applications, American Chemical Society: 2017; Vol. 1271, pp. 95-113. (HTML) (HAL) (HAL Full-text)
5. Molgó, J.; Benoit, E.; Aráoz, R.; Zakarian, A.; Iorga, B. I., Spirolides and cyclic imines: Toxicological profile. In Marine and Freshwater Toxins, Gopalakrishnakone, P.; Haddad Jr, V.; Kem, W. R.; Tubaro, A.; Kim, E., Eds. Springer Netherlands: 2016; pp. 193-217. (HTML) (HAL) (HAL Full-text)
4. Molgó, J.; Aráoz, R.; Iorga, B. I.; Benoit, E.; Zakarian, A., Cyclic imine neurotoxins acting on muscarinic and nicotinic acetylcholine receptors. In Toxins and biologically active compounds from microalgae, Rossini, G. P., Ed. CRC Press: Boca Raton, FL, 2014; Vol. 2, pp. 116-146. (HTML) (HAL)
3. Molgó, J.; Aráoz, R.; Benoit, E.; Iorga, B. I., Cyclic imine toxins: chemistry, origin, metabolism, pharmacology, toxicology, and detection. In Seafood and freshwater toxins. Pharmacology physiology and detection. 3rd ed., Botana, L. M., Ed. CRC Press: 2014; pp. 951-990. (HTML) (HAL)
2. Vijayan, R.; Iorga, B.; Biggin, P. C., Computational approaches to ionotropic glutamate receptors. In Molecular Simulations and Biomembranes – From Biophysics to Function, Sansom, M. S. P.; Biggin, P. C., Eds. Royal Society of Chemistry: Cambridge, 2010; pp. 203-224. (HTML) (HAL)
1. Savignac, P.; Iorga, B.; Savignac, M., One or more C:C bond(s) formed by condensation: condensation of P, As, Sb, Bi, Si, Ge, B, or metal functions. In Comprehensive Organic Functional Group Transformations II, 2005; Vol. 1, pp. 723-759. (HTML) (HAL)
33. Selwa, E.; Iorga, B. I. Machine-learning approach for in silico prediction of lipid-based nanoparticles self-assembly, 258th ACS National Meeting & Exposition Abstracts of Papers, American Chemical Society: 2019; pp. COLL-0108.
32. Zavala, A.; Retailleau, P.; Naas, T.; Iorga, B. I. Structure, dynamics, and hydrolytic properties of the class C CMY-136 β-lactamase, 257th ACS National Meeting & Exposition Abstracts of Papers, American Chemical Society: 2019; COMP-0583.
31. Molgó, J.; Amar, M.; Araoz, R.; Benoit, E.; Iorga, B. I.; Yasumoto, T.; Zakarian, A.; Servent, D. The cyclic imine family of dinoflagellate toxins targeting nicotinic acetylcholine receptors, Toxicon, 2019; S22. (HTML) (HAL)
30. Zavala, A.; Oueslati, S.; Selwa, E.; Elisee, E.; Naas, T.; Iorga, B. I. In silico prediction of β-lactamase hydrolysis efficiency: Finding the right balance between kinetic and thermodynamic terms, 256th ACS National Meeting & Exposition Abstracts of Papers, American Chemical Society: 2018; COMP-569.
29. Selwa, E.; Elisee, E.; Naas, T.; Iorga, B. Towards in silico prediction of β-lactamase-mediated antibiotic resistance using free energy calculations, 255th ACS National Meeting & Exposition Abstracts of Papers, American Chemical Society: 2018; COMP-381.
28. Iorga, B.; Selwa, E. Use of atomistic molecular dynamics simulations for in silico self-assembly of nanoparticles: Opportunities and limitations, 256th ACS National Meeting & Exposition Abstracts of Papers, American Chemical Society: 2018; COLL-548.
27. Amar, M.; Araoz, R.; Iorga, B. I.; Yasumoto, T.; Servent, D.; Molgo, J. The cyclic imine prorocentrolide-A obtained from cultured japanese Prorocentrum lima dinoflagellates target muscle- and neuronal-type nicotinic acetylcholine receptors. Toxicon 2018, 149, 103-104. (HTML) (HAL)
26. Molgó, J.; Aráoz, R.; Benoit, E.; Iorga, B. I.; Zakarian, A.; Servent, D. Cyclic imine toxins exhibiting high affinity for muscle- and neuronal-subtypes of nicotinic acetylcholine receptors, J. Neurochem. 2017; 197-198.
25. Dabos, L.; Bonnin, R. A.; Dortet, L.; Naas, T.; Iorga, B. I. Key role of the β5-β6 loop conformation in the substrate specificity of OXA-48–like enzymes: Implications for the β-lactamase-mediated antibiotic resistance, 253rd ACS National Meeting & Exposition Abstracts of Papers, 2017; COMP-582.
24. Iorga, B. I.; Aráoz, R.; Benoit, E.; Molgó, J. Selectivity of spiroimine phycotoxins toward nicotinic acetylcholine receptors, Biophys. J., 2016; 603a. (HTML) (HAL) (OpenAccess)
23. Iorga, B.; Retailleau, P.; Marchini, L.; Oueslati, S.; Dortet, L.; Naas, T. Molecular modeling of OXA-405, a new member of the OXA-48 carbapenemase family, 251st ACS National Meeting & Exposition Abstracts of Papers, American Chemical Society: 2016; COMP-123.
22. Kenney, I.; Iorga, B. I.; Beckstein, O. Towards an automated pipeline for solvation free energy calculations, Annual Meeting of the APS Four Corners Section, Tempe, AZ, United States, Tempe, AZ, United States, 2015.
21. Nicolas, C.; Shittl, J.; Pertuiset, C.; Mehel, H.; Courilleau, D.; Jullian, J.-C.; Cresteil, T.; Blondeau, J.-P.; Colas, C.; Iorga, B. I.; Gueritte, F.; Gernigon, N.; Cintrat, J.-C.; Ambroise, Y.; Sylla, M.; Neveu, N.; Dumas, F.; Vandecasteele, G.; Fischmeister, R.; Brenner, C. Assay development and high-throughput screening to identify PDE2A activators to treat heart failure, Arch. Cardiovasc. Dis. Suppl., 2014; 43. (HTML) (HAL) (OpenAccess)
20. Nicolas, C.; Porceddu, M.; Buron, N.; Wang, Z.; Colas, C.; Iorga, B.; Ambroise, Y.; Vandecasteele, G.; Fischmeister, R.; Borgne-Sanchez, A.; Brenner, C. A screening strategy to identify modulators of the mitochondrial ADP/ATP translocase (ANT) for cardioprotection, Arch. Cardiovasc. Dis. Suppl., 2014; 58 (0256). (HTML) (HAL) (OpenAccess)
19. Naas, T.; Oueslati, S.; Cissé, C.; Retailleau, P.; Iorga, B. I. Insights into the selectivity profile of OXA-232 carbapenemase using covalent docking and molecular dynamics simulations, 248th ACS National Meeting & Exposition Abstracts of Papers, San Francisco, CA, USA, August 10-14; American Chemical Society: San Francisco, CA, USA, 2014; COMP-518.
18. Colas, C.; Desrat, S.; Dumontet, V.; Birlirakis, N.; Roussi, F.; Iorga, B. I. Conformational flexibility in drug design of anti-apoptotic proteins inhibitors, 247th ACS National Meeting & Exposition Abstracts of Papers, Dallas, TX, United States, American Chemical Society: Dallas, TX, United States, 2014; COMP-36.
17. Aráoz, R.; Benoit, E.; Molgó, J.; Iorga, B. I. Conformational flexibility of cyclic imine phycotoxins revealed by long-timescale molecular dynamics simulations, Toxicon; 2014; 179. (HTML) (HAL)
16. Aráoz, R.; Benoit, E.; Molgó, J.; Iorga, B. I. Understanding selectivity of macrocyclic spiroimine phycotoxins toward nicotinic acetylcholine receptors using ligand- and structure-based molecular modeling methods, 248th ACS National Meeting & Exposition Abstracts of Papers, San Francisco, CA, USA, August 10-14; American Chemical Society: San Francisco, CA, USA, 2014; COMP-223.
15. Aráoz, R.; Benoit, E.; Molgó, J.; Iorga, B. I. Conformational flexibility of cyclic imine phycotoxins revealed by long-timescale molecular dynamics simulations, 247th ACS National Meeting & Exposition Abstracts of Papers, Dallas, TX, United States, American Chemical Society: Dallas, TX, United States, 2014; COMP-93.
14. Naas, T.; Nordmann, P.; Iorga, B. I. Molecular modeling studies in beta-lactamase-mediated antibiotic resistance, 245th ACS National Meeting & Exposition Abstracts of Papers, New Orleans, LA, United States, American Chemical Society: New Orleans, LA, United States, 2013; BIOL-222.
13. Aráoz, R.; Molgó, J.; Iorga, B. I. Conformational and pharmacophoric features within the cyclic imine phycotoxin group, Toxicon, 2013; 218. (HTML) (HAL)
12. Aráoz, R.; Molgó, J.; Iorga, B. I. Conformational and pharmacophoric features within the macrocyclic spiroimine toxins family, 245th ACS National Meeting & Exposition Abstracts of Papers, New Orleans, LA, United States, American Chemical Society: New Orleans, LA, United States, 2013; COMP-47.
11. Surpateanu, G.; Soulé, J.-F.; Norsikian, S.; Beau, J.-M.; Iorga, B. I. Conformational study of glycal-type neuraminidase inhibitors, 243rd ACS National Meeting & Exposition Abstracts of Papers, San Diego, CA, United States, March 25-29; American Chemical Society: San Diego, CA, United States, 2012; CARB-132.
10. Naas, T.; Brozek, C.; Bernadat, G.; Beckstein, O.; Nordmann, P.; Iorga, B. I. Interaction of avibactam with OXA-48 and KPC-2 carbapenemases accounts for its unique efficiency in the treatment of antibiotic resistance, 244th ACS National Meeting & Exposition Abstracts of Papers, Philadelphia, PA, United States, August 19-23; American Chemical Society: Philadelphia, PA, United States, 2012; COMP-463.
9. Domański, J.; Beckstein, O.; Iorga, B. I. Ligandbook – an online repository for small and drug-like molecule force field parameters, 244th ACS National Meeting & Exposition Abstracts of Papers, Philadelphia, PA, United States, August 19-23; American Chemical Society: Philadelphia, PA, United States, 2012; COMP-227.
8. Dardenne, J.; Pujals, A.; Colas, C.; Birlirakis, N.; Wiels, J.; Dumontet, V.; Geny, C.; Iorga, B.; Gueritte, F.; Roussi, F. Pharmacomodulation of meiogynin A, a dimeric sesquiterpenoid inhibiting BCL-XL and BAK interaction, Planta Med.; 2012; 1081 (PD1038). (HTML) (HAL)
7. Beckstein, O.; Iorga, B. I. Prediction of hydration free energies for aliphatic and aromatic chloro derivatives using molecular dynamics simulations with the OPLS-AA force field, 243rd ACS National Meeting & Exposition Abstracts of Papers, San Diego, CA, United States, March 25-29; American Chemical Society: San Diego, CA, United States, 2012; COMP-76.
6. Amara, N.; Vijayan, R.; Biggin, P. C.; Iorga, B. I. Ionontropic glutamate receptors: Insight into the mechanism of desensitization and deactivation using molecular dynamics simulations, Biophys. J., 2012; 114a (576). (HTML) (HAL) (OpenAccess)
5. Colas, C.; Roussi, F.; Iorga, B. I., Focused ligand libraries as tools for in silico design of anti-apoptotic proteins inhibitors. In Chemistry for Life Sciences, Kiss, T.; Perczel, A., Eds. Medimond, Bologna: Budapest, 2011; pp. 41-46.
4. Aráoz, R.; Zakarian, A.; Molgó, J.; Iorga, B. I., Insights into the interaction of pinnatoxin A with nicotinic acetylcholine receptors using molecular modeling. In Toxins and ion tranfers, Barbier, J.; Benoit, E.; Gilles, N.; Ladant, D.; Martin-Eauclaire, M.-F.; Mattei, C.; Molgó, J.; Popoff, M. R.; Servent, D., Eds. French Society of Toxinology: Paris, 2011; pp. 49-54.
3. Aráoz, R.; Servent, D.; Molgó, J.; Iorga, B. I.; Fruchart-Gaillard, C.; Benoit, E.; Gu, Z.; Stivala, C.; Zakarian, A., Pinnatoxins : an emergent family of marine phycotoxins targeting nicotinic acetylcholine receptors with high affinity. In Toxins and ion tranfers, Barbier, J.; Benoit, E.; Gilles, N.; Ladant, D.; Martin-Eauclaire, M.-F.; Mattei, C.; Molgó, J.; Popoff, M. R.; Servent, D., Eds. French Society of Toxinology: Paris, 2011; pp. 43-47.
2. Aráoz, R.; Chabaud, L.; Guillou, C.; Molgó, J.; Iorga, B. I. Spiroimine toxins in complex with nicotinic acetylcholine receptors: Structure and dynamics, Biophys. J., 2011; 347a (1881). (HTML) (HAL) (OpenAccess)
1. Aráoz, R.; Chabaud, L.; Guillou, C.; Molgó, J.; Iorga, B. I., Molecular dynamics studies of Acetylcholine Binding Protein with spiroimine toxins. In Advances and New Technologies in Toxinology, Barbier, J.; Benoit, E.; Marchot, P.; Mattei, C.; Servent, D., Eds. French Society of Toxinology: Paris, 2010; pp. 109-114.
4. Salmon, L.; Salzburg, S.; Labruère, R.; Abellan-Flos, M.; Diez Martinez, A.; Gayral, M.; Iorga, B.; Naas, T.; Oueslati, S. Novel dipeptide compounds, method for the production thereof and a novel therapeutic use of dipeptide compounds. WO/2021/255156, 2021. (HTML)
3. Cariou, K.; Dodd, R. H.; Romero, E.; Benchekroun, M.; Iorga, B.; Naas, T.; Oueslati, S. Preparation of 3-imidazolines as inhibitors of carbapenemases useful as antibiotics. WO/2018/162670, Centre National de la Recherche Scientifique CNRS , Fr.; Universite Paris-Sud; Assistance Publique – Hopitaux de Paris . 2018. (HTML)
2. Dodd, R.; Cariou, K.; Minard, C.; Iorga, B. I.; Naas, T. Azetidinimines as carbapenemases inhibitors. WO/2017/042233, Centre National de la Recherche Scientifique CNRS , Fr. . 2017. (HTML)
1. Collin, P.; Delpech, B.; Bakala, J.; Iorga, B.; Frapart-Jannaud, Y.-M.; Peyrot, F.; Pelissier, F.; Achab, M. C. Use of a novel 3-aryl-4-catechol-pyrrole-N-propanol compound and the derivatives thereof to treat cancer and diseases related to excessive angiogenesis. WO/2015/193382, Centre National de la Recherche Scientifique CNRS , Fr. . 2015. (HTML)