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Application of in-silico drug discovery techniques to discover a novel hit for target-specific inhibition of SARS-CoV-2 Mpro's revealed allosteric binding with MAO-B receptor: A theoretical study to find a cure for post-covid neurological disorder.
PLoS One. 2024 Jan 16;19(1):e0286848. doi: 10.1371/journal.pone.0286848. eCollection 2024.
PLoS One. 2024.
PMID: 38227609
Free PMC article.
In-silico studies to recognize repurposing therapeutics toward arginase-I inhibitors as a potential onco-immunomodulators.
Zaki MEA, Al-Hussain SA, Al-Mutairi AA, Samad A, Ghosh A, Chaudhari S, Khatale PN, Ajmire P, Jawarkar RD.
Zaki MEA, et al. Among authors: khatale pn.
Front Pharmacol. 2023 Apr 18;14:1129997. doi: 10.3389/fphar.2023.1129997. eCollection 2023.
Front Pharmacol. 2023.
PMID: 37144217
Free PMC article.
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Impact of tautomery of 3-(4H-1,2,4-triazol-3-ylthio)-N-phenylpropanamide on the COX-1 inhibitory mechanism.
Manikrao AM, Chaple DR, Khatale PN, Sable PM, Jawarkar RD.
Manikrao AM, et al. Among authors: khatale pn.
J Enzyme Inhib Med Chem. 2013 Jun;28(3):523-9. doi: 10.3109/14756366.2011.654112. Epub 2012 Feb 5.
J Enzyme Inhib Med Chem. 2013.
PMID: 22304495
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