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Table 4 iv: diagrammatic 3D- and 2D-ligand-Mpro interaction in presence of k36 as a reference in the 3D-structure (K36 inhibitor is represented with purple color), i1v1: non-covalent interactions of ligand with amino acids of Mpro

From: Spectroscopic details on the molecular structure of pyrimidine‑2‑thiones heterocyclic compounds: computational and antiviral activity against the main protease enzyme of SARS-CoV-2

No

Diagrammatic 3D- and 2D-ligand-Mpro interaction in presence of k36 with non-covalent bond distance values

Non-covalent interactions of ligand with amino acids of Mpro

L1

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(i)

(i1)

L2

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(ii)

(ii1)

L3

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(iii)

(iii1)

L4

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(iv)

(iv1)

L5

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(v)

(v1)