Computational Biology and Chemistry

8 works

Journal · ISSN 1476-9271

1. Aconitum and Delphinium sp. alkaloids as antagonist modulators of voltage-gated Na+ channels

   Malakhat A. Turabekova, Bakhtiyor Rasulev, Mikhail G. Levkovich +2

   ArticlePlant-based Medicinal ResearchComputational Biology and Chemistry20075 citations

   ABIABI:AkademIndex/openalex/2026.other.179587

2. Relationship between structural properties and biological activity of (-)-menthol and some menthyl esters

   Dilshod Mansurov, Alisher Khaitbaev, Khamid Kh Khaitbaev +2

   ArticleAnalytical Chemistry and ChromatographyComputational Biology and Chemistry20252 citations

   ABIABI:AkademIndex/openalex/2025.article.000578

3. Tailored pyrrole-based imidazothiazole scaffolds: Synthetic elaboration, enzyme kinetic profiling and DFT-guided molecular docking toward Antidiabetic therapeutics

   Zanib Fiaz, Shoaib Khan, Tayyiaba Iqbal +6

   ArticleNatural Antidiabetic Agents StudiesComputational Biology and Chemistry20261 citations

   ABIABI:AkademIndex/openalex/2026.article.000027

4. QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES

   Andrey A. Toropov, Karel Nesměrák, Ivan Raška +2

   ArticlePhenothiazines and Benzothiazines Synthesis and ActivitiesComputational Biology and Chemistry20061 citations

   ABIABI:AkademIndex/openalex/2026.other.347937

5. In Silico design and molecular dynamics analysis of imidazole derivatives as selective cyclooxygenase-2 inhibitors

   Mohamed J. Saadh, Hanan Hassan Ahmed, Radhwan Abdul Kareem +10

   ArticleInflammatory mediators and NSAID effectsComputational Biology and Chemistry20250 citations

   ABIABI:AkademIndex/openalex/2025.article.001552

6. A computational investigation of monolayer HB: Effective NH3 gas sensor with highly sensor response

   Ali B.M. Ali, Ehab Yassen Theab, Muyassar Norberdiyeva +8

   ArticleGas Sensing Nanomaterials and SensorsComputational Biology and Chemistry20250 citations

   ABIABI:AkademIndex/openalex/2025.article.002813

7. Deciphering enzyme inhibition of thiazole assemblies for diabetes management via molecular docking, dynamic simulation, DFT and kinetic study: A computational therapeutic strategy

   Uthman Alghamdi, Shoaib Khan, Tayyiaba Iqbal +6

   ArticleComputational Drug Discovery MethodsComputational Biology and Chemistry20260 citations

   ABIABI:AkademIndex/openalex/2026.article.000432

8. Siligraphene as targeted carrier for 5-FU anticancer drug delivery with smart release: A first-principles study

   Marey Almaghrabi, Abdulsalam Q. Almashhadani, Ghada Al-Assi +8

   ArticleGraphene and Nanomaterials ApplicationsComputational Biology and Chemistry20260 citations

   ABIABI:AkademIndex/openalex/2026.article.021768