Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

Search Results

142 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
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: el emam aa. 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.
Quantitative analysis of hydrogen and chalcogen bonds in two pyrimidine-5-carbonitrile derivatives, potential DHFR inhibitors: an integrated crystallographic and theoretical study.
Al-Wahaibi LH, Chakraborty K, Al-Shaalan NH, Syed Majeed MYA, Blacque O, Al-Mutairi AA, El-Emam AA, Percino MJ, Thamotharan S. Al-Wahaibi LH, et al. RSC Adv. 2020 Oct 6;10(60):36806-36817. doi: 10.1039/d0ra07215j. eCollection 2020 Oct 1. RSC Adv. 2020. PMID: 35517953 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. Among authors: el emam aa. Molecules. 2022 Oct 31;27(21):7403. doi: 10.3390/molecules27217403. Molecules. 2022. PMID: 36364230 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. 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
Supramolecular Self-Assembly Built by Weak Hydrogen, Chalcogen, and Unorthodox Nonbonded Motifs in 4-(4-Chlorophenyl)-3-[(4-fluorobenzyl)sulfanyl]-5-(thiophen-2-yl)-4H-1,2,4-triazole, a Selective COX-2 Inhibitor: Insights from X-ray and Theoretical Studies.
Al-Wahaibi LH, Rahul B, Mohamed AAB, Abdelbaky MSM, Garcia-Granda S, El-Emam AA, Percino MJ, Thamotharan S. Al-Wahaibi LH, et al. ACS Omega. 2021 Mar 3;6(10):6996-7007. doi: 10.1021/acsomega.0c06287. eCollection 2021 Mar 16. ACS Omega. 2021. PMID: 33748613 Free PMC article.
142 results