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Page 1
Crystal structure of 4-(2-meth-oxy-phen-yl)piper-azin-1-ium 3,5-dintrosalicylate.
Subha V, Seethalakshmi T, Balakrishnan T, Percino MJ, Venkatesan P. Subha V, et al. Among authors: percino mj. Acta Crystallogr E Crystallogr Commun. 2022 Jul 12;78(Pt 8):774-778. doi: 10.1107/S2056989022006831. eCollection 2022 Aug 1. Acta Crystallogr E Crystallogr Commun. 2022. PMID: 35974824 Free PMC article.
A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking.
Al-Wahaibi LH, Alagappan K, Gomila RM, Blacque O, Frontera A, Percino MJ, El-Emam AA, Thamotharan S. Al-Wahaibi LH, et al. Among authors: percino mj. RSC Adv. 2023 Nov 21;13(48):34064-34077. doi: 10.1039/d3ra07169c. eCollection 2023 Nov 16. RSC Adv. 2023. PMID: 38019986 Free PMC article.
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. Molecules. 2022 Oct 31;27(21):7403. doi: 10.3390/molecules27217403. Molecules. 2022. PMID: 36364230 Free PMC article.
Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis.
El-Emam AA, Saveeth Kumar E, Janani K, Al-Wahaibi LH, Blacque O, El-Awady MI, Al-Shaalan NH, Percino MJ, Thamotharan S. El-Emam AA, et al. Among authors: percino mj. RSC Adv. 2020 Mar 6;10(17):9840-9853. doi: 10.1039/d0ra00733a. eCollection 2020 Mar 6. RSC Adv. 2020. PMID: 35498588 Free PMC article.
Structural and Energetic Properties of Weak Noncovalent Interactions in Two Closely Related 3,6-Disubstituted-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Derivatives: In Vitro Cyclooxygenase Activity, Crystallography, and Computational Investigations.
Al-Wahaibi LH, Karthikeyan S, Blacque O, El-Masry AA, Hassan HM, Percino MJ, El-Emam AA, Thamotharan S. Al-Wahaibi LH, et al. Among authors: percino mj. ACS Omega. 2022 Sep 16;7(38):34506-34520. doi: 10.1021/acsomega.2c04252. eCollection 2022 Sep 27. ACS Omega. 2022. PMID: 36188268 Free PMC article.
Supramolecular Self-Assembly Mediated by Multiple Hydrogen Bonds and the Importance of C-S···N Chalcogen Bonds in N'-(Adamantan-2-ylidene)hydrazide Derivatives.
Al-Wahaibi LH, Asokan KV, Al-Shaalan NH, Tawfik SS, Hassan HM, El-Emam AA, Percino MJ, Thamotharan S. Al-Wahaibi LH, et al. Among authors: percino mj. ACS Omega. 2022 Mar 17;7(12):10608-10621. doi: 10.1021/acsomega.2c00159. eCollection 2022 Mar 29. ACS Omega. 2022. PMID: 35382346 Free PMC article.
X-ray and theoretical investigation of (Z)-3-(adamantan-1-yl)-1-(phenyl or 3-chlorophenyl)-S-(4-bromobenzyl)isothioureas: an exploration involving weak non-covalent interactions, chemotherapeutic activities and QM/MM binding energy.
Al-Omary FAM, Chowdary Gude N, Al-Rasheed LS, Alkahtani HN, Hassan HM, Al-Abdullah ES, El-Emam AA, Percino MJ, Thamotharan S. Al-Omary FAM, et al. Among authors: percino mj. J Biomol Struct Dyn. 2022 Apr;40(6):2530-2545. doi: 10.1080/07391102.2020.1840443. Epub 2020 Nov 5. J Biomol Struct Dyn. 2022. PMID: 33150854
27 results