The docking, ADMET, and MD simulation studies indicate that the designed shikimic acid derivatives have good binding affinity and drug-like properties, and are stable in the active site of the SARS-CoV-2 main protease.
Hardha Balachandran, Kaviarasan Lakshmanan, Dipen Purohit et al.· Current Computer - Aided Dru...· 0 citations
MKIs and bispecific antibodies represent transformative modalities in modern oncology, supported by robust clinical evidence and extensive patent activity.
Thirumalaikumaran Rathinam, S. Reddy, Yella Sirisha et al.· Recent Patents on Anti-Cance...· 0 citations
Overall, compound B2 emerged as a promising PARP1 inhibitor with strong binding affinity, structural stability, and significant in vitro anticancer activity, warranting further optimization and preclinical investigation.
Hardha Balachandran, Subhajit Majumder, Gowramma Byran et al.· Current Medicinal Chemistry· 0 citations
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