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Page 1
Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles.
Rath M, Wellnitz J, Martin HJ, Melo-Filho C, Hochuli JE, Silva GM, Beasley JM, Travis M, Sessions ZL, Popov KI, Zakharov AV, Cherkasov A, Alves V, Muratov EN, Tropsha A. Rath M, et al. Among authors: sessions zl. J Med Chem. 2024 Apr 25;67(8):6508-6518. doi: 10.1021/acs.jmedchem.3c02446. Epub 2024 Apr 3. J Med Chem. 2024. PMID: 38568752
Selene-Ethylenelacticamides and N-Aryl-Propanamides as Broad-Spectrum Leishmanicidal Agents.
de Sousa NF, da Silva Souza HD, de Menezes RPB, da Silva Alves F, Acevedo CAH, de Lima Nunes TA, Sessions ZL, Scotti L, Muratov EN, Mendonça-Junior FJB, da Franca Rodrigues KA, de Athayde Filho PF, Scotti MT. de Sousa NF, et al. Among authors: sessions zl. Pathogens. 2023 Jan 13;12(1):136. doi: 10.3390/pathogens12010136. Pathogens. 2023. PMID: 36678484 Free PMC article.
Integrated approach to elucidate metal-implant related adverse outcome pathways.
Beasley JT, Korn DR, Popov KI, Dumproff RL, Sessions ZL, Rath MK, Alves VM, Causey K, Rua D, Muratov EN, Tropsha A. Beasley JT, et al. Among authors: sessions zl. Regul Toxicol Pharmacol. 2022 Dec;136:105277. doi: 10.1016/j.yrtph.2022.105277. Epub 2022 Oct 23. Regul Toxicol Pharmacol. 2022. PMID: 36288772
Allosteric Binders of ACE2 Are Promising Anti-SARS-CoV-2 Agents.
Hochuli JE, Jain S, Melo-Filho C, Sessions ZL, Bobrowski T, Choe J, Zheng J, Eastman R, Talley DC, Rai G, Simeonov A, Tropsha A, Muratov EN, Baljinnyam B, Zakharov AV. Hochuli JE, et al. Among authors: sessions zl. ACS Pharmacol Transl Sci. 2022 Jun 22;5(7):468-478. doi: 10.1021/acsptsci.2c00049. eCollection 2022 Jul 8. ACS Pharmacol Transl Sci. 2022. PMID: 35821746 Free PMC article.
Four diterpenes identified in silico were isolated from Hyptidinae and demonstrated in vitro activity against Mycobacterium tuberculosis.
Cavalcanti ABS, Maia MDS, Figueiredo PTR, Menezes RPB, Monteiro AFM, Meireles RAR, Rodrigues GCS, Rodrigues de Almeida Silva AR, Lins JDS, Cordeiro LV, Junior VSR, Castelo Branco APOT, Agra MF, Sessions ZL, Muratov EN, Scotti L, Silva MSD, Costa VCO, Tavares JF, Scotti MT. Cavalcanti ABS, et al. Among authors: sessions zl. Nat Prod Res. 2023 Mar;37(6):903-911. doi: 10.1080/14786419.2022.2096604. Epub 2022 Jul 12. Nat Prod Res. 2023. PMID: 35819986
Natural Products from Annonaceae as Potential Antichagasic Agents.
Barros de Menezes RP, Fechine Tavares J, Kato MJ, da Rocha Coelho FA, Sousa Dos Santos AL, da Franca Rodrigues KA, Sessions ZL, Muratov EN, Scotti L, Tullius Scotti M. Barros de Menezes RP, et al. Among authors: sessions zl. ChemMedChem. 2022 Aug 3;17(15):e202200196. doi: 10.1002/cmdc.202200196. Epub 2022 Jul 1. ChemMedChem. 2022. PMID: 35678042
Allosteric binders of ACE2 are promising anti-SARS-CoV-2 agents.
Hochuli JE, Jain S, Melo-Filho C, Sessions ZL, Bobrowski T, Choe J, Zheng J, Eastman R, Talley DC, Rai G, Simeonov A, Tropsha A, Muratov EN, Baljinnyam B, Zakharov AV. Hochuli JE, et al. Among authors: sessions zl. bioRxiv [Preprint]. 2022 Mar 16:2022.03.15.484484. doi: 10.1101/2022.03.15.484484. bioRxiv. 2022. PMID: 35313579 Free PMC article. Updated. Preprint.
Recent Studies on Neglected Drug Design.
de Sousa NF, Scotti L, Rodrigues GCS, de Moura ÉP, Costa Barros RPB, Sessions ZL, Muratov EN, Scotti MT. de Sousa NF, et al. Among authors: sessions zl. Curr Top Med Chem. 2021;21(21):1943-1974. doi: 10.2174/1568026621666210920155939. Curr Top Med Chem. 2021. PMID: 34544342 Review.
Simplex representation of molecular structure as universal QSAR/QSPR tool.
Kuz'min V, Artemenko A, Ognichenko L, Hromov A, Kosinskaya A, Stelmakh S, Sessions ZL, Muratov EN. Kuz'min V, et al. Among authors: sessions zl. Struct Chem. 2021;32(4):1365-1392. doi: 10.1007/s11224-021-01793-z. Epub 2021 Jun 22. Struct Chem. 2021. PMID: 34177203 Free PMC article. Review.
Natural Products as Potential Agents against SARS-CoV and SARSCoV- 2.
Raimundo E Silva JP, Acevedo CAH, de Souza TA, de Menezes RPB, Sessions ZL, Abreu LS, Cibulski SP, Scotti L, da Silva MS, Muratov EN, Scotti MT, Tavares JF. Raimundo E Silva JP, et al. Among authors: sessions zl. Curr Med Chem. 2021;28(27):5498-5526. doi: 10.2174/0929867328666210125113938. Curr Med Chem. 2021. PMID: 33550959 Review.