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10.3390/molecules26071912

http://scihub22266oqcxt.onion/10.3390/molecules26071912
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33805419!8037385!33805419
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suck abstract from ncbi


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pmid33805419      Molecules 2021 ; 26 (7): ä
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  • Accelerated Repurposing and Drug Development of Pulmonary Hypertension Therapies for COVID-19 Treatment Using an AI-Integrated Biosimulation Platform #MMPMID33805419
  • Chakravarty K; Antontsev VG; Khotimchenko M; Gupta N; Jagarapu A; Bundey Y; Hou H; Maharao N; Varshney J
  • Molecules 2021[Mar]; 26 (7): ä PMID33805419show ga
  • The COVID-19 pandemic has reached over 100 million worldwide. Due to the multi-targeted nature of the virus, it is clear that drugs providing anti-COVID-19 effects need to be developed at an accelerated rate, and a combinatorial approach may stand to be more successful than a single drug therapy. Among several targets and pathways that are under investigation, the renin-angiotensin system (RAS) and specifically angiotensin-converting enzyme (ACE), and Ca(2+)-mediated SARS-CoV-2 cellular entry and replication are noteworthy. A combination of ACE inhibitors and calcium channel blockers (CCBs), a critical line of therapy for pulmonary hypertension, has shown therapeutic relevance in COVID-19 when investigated independently. To that end, we conducted in silico modeling using BIOiSIM, an AI-integrated mechanistic modeling platform by utilizing known preclinical in vitro and in vivo datasets to accurately simulate systemic therapy disposition and site-of-action penetration of the CCBs and ACEi compounds to tissues implicated in COVID-19 pathogenesis.
  • |*COVID-19 Drug Treatment[MESH]
  • |Angiotensin-Converting Enzyme Inhibitors/pharmacokinetics[MESH]
  • |Antiviral Agents/blood/*pharmacokinetics[MESH]
  • |Biosimilar Pharmaceuticals[MESH]
  • |COVID-19/complications[MESH]
  • |Calcium Channel Blockers/pharmacokinetics[MESH]
  • |Computer Simulation[MESH]
  • |Databases, Pharmaceutical[MESH]
  • |Drug Development/methods[MESH]
  • |Drug Repositioning/*methods[MESH]
  • |Humans[MESH]
  • |Hypertension, Pulmonary/*drug therapy/virology[MESH]


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