ArticleBioorganic & medicinal chemistry2021
Potential inhibitors interacting in Neuropilin-1 to develop an adjuvant drug against COVID-19, by molecular docking.
Article in Bioorganic & medicinal chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed, 39 citations in OpenAlex.
- Article
- Potential Otubain1 Inhibitor, an Approach for a Treatment against Breast Cancer.International journal of molecular and cellular medicine · 2024Article
- Deep spatial-omics analysis of Head & Neck carcinomas provides alternative therapeutic targets and rationale for treatment failure.NPJ precision oncology · 2023Article
- γ-Secretase Inhibitors Selected by Molecular Docking, to Develop a New Drug Against Alzheimer's Disease.Reports of biochemistry & molecular biology · 2023Article
- Folic Acid and Leucovorin Have Potential to Prevent SARS-CoV-2-Virus Internalization by Interacting with S-Glycoprotein/Neuropilin-1 Receptor Complex.Molecules (Basel, Switzerland) · 2023Article
- Potential Inhibitors of The OTUB1 Catalytic Site to Develop an Anti-Cancer Drug UsingReports of biochemistry & molecular biology · 2023Article
- Neuropilin (NRPs) Related Pathological Conditions and Their Modulators.International journal of molecular sciences · 2022Review
- Computational screening of potential drugs against COVID-19 disease: the Neuropilin-1 receptor as molecular target.Virusdisease · 2022Article
- The Complexity of SARS-CoV-2 Infection and the COVID-19 Pandemic.Frontiers in microbiology · 2022Review
- Synthesis of aspirin-curcumin mimic conjugates of potential antitumor and anti-SARS-CoV-2 properties.Bioorganic chemistry · 2021Article
- Diabetic Nephropathy and COVID-19: The Potential Role of Immune Actors.International journal of molecular sciences · 2021Review
- The Role of Neuropilin-1 (NRP-1) in SARS-CoV-2 Infection: Review.Journal of clinical medicine · 2021Review
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Authors and funding
1 author at 1 institution in 1 country.
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Abstract
The COVID-19 pandemic continues without specific treatment. In this study it is proposed compounds that can be developed as adjuvant / complementary drugs against COVID-19. Through a search for molecular docking, for the development of a new drug using pharmacological compounds targeting the b1 region in neuropilin-1 (NRP1), which is important for the interaction with the S1 region of the S-Protein of SARS-CoV-2, to slow down the infection process of this virus. A molecular docking was performed using almost 500,000 compounds targeted to interact in the region between amino acids (Thr316, Asp320, Ser346, Thr349, and Tyr353) in NRP1 to determine compounds able to hinder the interaction with the S1 region in the S-Protein. In this study, ten compounds are proposed as potential inhibitors between S1 region in the S-Protein of SARS-CoV-2 with the b1 region in NRP1, to develop a new adjuvant / complementary drug against COVID-19, and to hinder the interaction between SARS-CoV-2 and human cells, with a high probability to be safe in humans, validated by web servers for prediction of ADME and toxicity (PreADMET).
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