| چکیده انگلیسی مقاله |
The B.1.617 lineage of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has spread throughout India, displacing other pre-existing lineages [1]. The SARS-CoV-2 B.1.617 is case of Delta variant pandemic of coronavirus which there is no country in the worldwide is safe from its harm and consequences [2]. The nautralization ability of 51 antiviral nanobody toward RBDs of SARS-COV 2 B.1.617 against the human angiotensin coverting enzyme 2 (ACE2) was repurposed using cluspro Server [3].The candidate VHH selected from 1196 nanobodies that was available in structural antibody database (SAbDab) [4]. The 21 selected VHH experimentally was neutralized the member glycoprotein of Severe acute respiratory syndrome coronavirus 1 (SARS-COV-1), Middle East respiratory syndrome (MERS), Human immunodeficiency viruses 1 (HIV-1) or respiratory syncytial virus (RSV). Also, 15 candidate nanobodies were blocking the Nef and capsid protein p24 of human immunodeficiency viruses 1 (HIV-1) or capsid protein VP3 of poliovirus. Moreover, different conformations of nanobodies that are experimentally involved in the RBD of SARS-COV 2 were adapted from PDB. Regarless of the synthetic nanobodies blocking of spike glycoproteins RBD of SARS-COV 2, other natural VHH occurring in Lama glama, Vicugna pacos or Camelus dromedaries. The crystallography structure of RBD-ACE2 of SARS-COV 2 (6LZG) as well as delta variant mutant RBDs of SARS-CoV-2, T478K (7ORA) and L452R (7ORB) was taken from protein data bank (PDB). It was seen, Sb23, SR4, VHH PVSS8A, VHH 17B, VHH PVSP29F, sdAb19, VHH PVSP19B, VHH-55, VHH A12, and VHH PVSP6A respectively was proposed for neutralization of T478K RBD with an estimated binding energy greater than -792.4 (kcal/mol) for ACE2. Also, VHH PVSP6A, Sb23, VHH PVSP29F, SR4, VHH-55, and VHH PVSP19B are others proposed nanobodies according the estimated binding energy greater than -812.3 (kcal/mol) for ACE2- L452R. Overall, Sb23, VHH PVSP29F, SR4, VHH-55, and VHH PVSP19B are repurposing nanobodies for based on the censuses decision making for both against both T478K and L452R RBDs of SARS-CoV-2 B.1.617 strain. |
