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Weak Noncovalent Interactions in Three Closely Related Adamantane-Linked 1,2,4-Triazole N-Mannich Bases: Insights from Energy Frameworks, Hirshfeld Surface Analysis, In Silico 11β-HSD1 Molecular Docking and ADMET Prediction.
Al-Wahaibi LH, Macías MA, Blacque O, Zondagh LS, Joubert J, Thamotharan S, Percino MJ, Mohamed AAB, El-Emam AA. Al-Wahaibi LH, et al. Among authors: percino mj. Molecules. 2022 Oct 31;27(21):7403. doi: 10.3390/molecules27217403. Molecules. 2022. PMID: 36364230 Free PMC article.
Solution and Solid-State Photophysical Properties of Positional Isomeric Acrylonitrile Derivatives with Core Pyridine and Phenyl Moieties: Experimental and DFT Studies.
Castillo A, Ceballos P, Santos P, Cerón M, Venkatesan P, Pérez-Gutiérrez E, Sosa-Rivadeneyra M, Thamotharan S, Siegler MA, Percino MJ. Castillo A, et al. Among authors: percino mj. Molecules. 2021 Mar 10;26(6):1500. doi: 10.3390/molecules26061500. Molecules. 2021. PMID: 33801942 Free PMC article.
Crystal structure and Hirshfeld surface analysis of 1-carb-oxy-2-(3,4-di-hydroxy-phen-yl)ethan-1-aminium chloride 2-ammonio-3-(3,4-di-hydroxy-phen-yl)propano-ate: a new polymorph of l-dopa HCl and isotypic with its bromide counterpart.
Kathiravan P, Balakrishnan T, Venkatesan P, Ramamurthi K, Percino MJ, Thamotharan S. Kathiravan P, et al. Among authors: percino mj. Acta Crystallogr E Crystallogr Commun. 2016 Oct 25;72(Pt 11):1628-1632. doi: 10.1107/S2056989016016789. eCollection 2016 Nov 1. Acta Crystallogr E Crystallogr Commun. 2016. PMID: 27840723 Free PMC article.
Crystal structure and Hirshfeld surface analysis of 1-carb-oxy-2-(3,4-di-hydroxy-phen-yl)ethan-1-aminium bromide 2-ammonio-3-(3,4-di-hydroxy-phen-yl)propano-ate.
Kathiravan P, Balakrishnan T, Venkatesan P, Ramamurthi K, Percino MJ, Thamotharan S. Kathiravan P, et al. Among authors: percino mj. Acta Crystallogr E Crystallogr Commun. 2016 Oct 7;72(Pt 11):1544-1548. doi: 10.1107/S2056989016015425. eCollection 2016 Nov 1. Acta Crystallogr E Crystallogr Commun. 2016. PMID: 27840704 Free PMC article.