Journal of Computer-Aided Molecular Design

3 works

Journal · ISSN 0920-654X

1. 3CLpro of SARS-CoV-2 as a new target for bufadienolides: in silico and in vitro study

   Muzaffar Kayumov, Jamoliddin Razzokov, Mukhriddin Makhkamov +10

   ArticleDrug-Induced Hepatotoxicity and ProtectionJournal of Computer-Aided Molecular Design20251 citations

   ABIABI:AkademIndex/openalex/2025.article.002111

2. Bond-based 2D TOMOCOMD-CARDD approach for drug discovery: aiding decision-making in ‘in silico’ selection of new lead tyrosinase inhibitors

   Yovani Marrero‐Ponce, Mahmud Tareq Hassan Khan, Gerardo M. Casañola‐Martín +5

   ArticleComputational Drug Discovery MethodsJournal of Computer-Aided Molecular Design20070 citations

   ABIABI:AkademIndex/openalex/2007.article.000064

3. Computationally driven discovery of thieno-pyridine thiadiazoles: a synthesis, DFT, docking and dynamics roadmap toward multitarget antidiabetic therapy

   Shoaib Khan, Mohamed A. Habib, Tayyiaba Iqbal +5

   ArticleSynthesis and biological activityJournal of Computer-Aided Molecular Design20260 citations

   ABIABI:AkademIndex/openalex/2026.article.021749