blocking key mutated hotspot residues in the rbd of the omicron variant (b.1.1.529) with medicinal compounds to disrupt the rbd-hace2 complex using molecular screening and simulation approaches

Abbas Khan; AsfandYar Waheed Randhawa; Ali Raza Balouch; Naila Mukhtar; Abrar Mohammad Sayaf; Muhammad Suleman; Taimoor Khan; Shahid Ali; Syed Shujait Ali; Yanjing Wang; Anwar Mohammad; Dong-Qing Wei

doi:10.1039/d2ra00277a

blocking key mutated hotspot residues in the rbd of the omicron variant (b.1.1.529) with medicinal compounds to disrupt the rbd-hace2 complex using molecular screening and simulation approaches

Abbas Khan, AsfandYar Waheed Randhawa, Ali Raza Balouch, Naila Mukhtar, Abrar Mohammad Sayaf, Muhammad Suleman, Taimoor Khan, Shahid Ali, Syed Shujait Ali, Yanjing Wang, Anwar Mohammad, Dong-Qing Wei

Research output: Contribution to journal › Article › peer-review

30 Scopus citations

Abstract

A new variant of SARS-CoV-2 known as the omicron variant (B.1.1.529) reported in South Africa with 30 mutations in the whole spike protein, among which 15 mutations are in the receptor-binding domain, is continuously spreading exponentially around the world.

Original language	American English
Pages (from-to)	7318-7327
Number of pages	10
Journal	RSC Advances
Volume	12
Issue number	12
DOIs	https://doi.org/10.1039/d2ra00277a
State	Published - 2022
Externally published	Yes

Funding Agency

Kuwait Foundation for the Advancement of Sciences

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1039/d2ra00277a

Cite this

Khan, A., Randhawa, A. W., Balouch, A. R., Mukhtar, N., Sayaf, A. M., Suleman, M., Khan, T., Ali, S., Ali, S. S., Wang, Y., Mohammad, A., & Wei, D.-Q. (2022). blocking key mutated hotspot residues in the rbd of the omicron variant (b.1.1.529) with medicinal compounds to disrupt the rbd-hace2 complex using molecular screening and simulation approaches. RSC Advances, 12(12), 7318-7327. https://doi.org/10.1039/d2ra00277a

@article{8030dd03deaa471e83abf39030d65fae,

title = "blocking key mutated hotspot residues in the rbd of the omicron variant (b.1.1.529) with medicinal compounds to disrupt the rbd-hace2 complex using molecular screening and simulation approaches",

abstract = "A new variant of SARS-CoV-2 known as the omicron variant (B.1.1.529) reported in South Africa with 30 mutations in the whole spike protein, among which 15 mutations are in the receptor-binding domain, is continuously spreading exponentially around the world.",

author = "Abbas Khan and Randhawa, {AsfandYar Waheed} and Balouch, {Ali Raza} and Naila Mukhtar and Sayaf, {Abrar Mohammad} and Muhammad Suleman and Taimoor Khan and Shahid Ali and Ali, {Syed Shujait} and Yanjing Wang and Anwar Mohammad and Dong-Qing Wei",

year = "2022",

doi = "10.1039/d2ra00277a",

language = "American English",

volume = "12",

pages = "7318--7327",

journal = "RSC Advances",

issn = "2046-2069",

publisher = "Royal Society of Chemistry",

number = "12",

}

Khan, A, Randhawa, AW, Balouch, AR, Mukhtar, N, Sayaf, AM, Suleman, M, Khan, T, Ali, S, Ali, SS, Wang, Y, Mohammad, A & Wei, D-Q 2022, 'blocking key mutated hotspot residues in the rbd of the omicron variant (b.1.1.529) with medicinal compounds to disrupt the rbd-hace2 complex using molecular screening and simulation approaches', RSC Advances, vol. 12, no. 12, pp. 7318-7327. https://doi.org/10.1039/d2ra00277a

blocking key mutated hotspot residues in the rbd of the omicron variant (b.1.1.529) with medicinal compounds to disrupt the rbd-hace2 complex using molecular screening and simulation approaches. / Khan, Abbas; Randhawa, AsfandYar Waheed; Balouch, Ali Raza et al.
In: RSC Advances, Vol. 12, No. 12, 2022, p. 7318-7327.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - blocking key mutated hotspot residues in the rbd of the omicron variant (b.1.1.529) with medicinal compounds to disrupt the rbd-hace2 complex using molecular screening and simulation approaches

AU - Khan, Abbas

AU - Randhawa, AsfandYar Waheed

AU - Balouch, Ali Raza

AU - Mukhtar, Naila

AU - Sayaf, Abrar Mohammad

AU - Suleman, Muhammad

AU - Khan, Taimoor

AU - Ali, Shahid

AU - Ali, Syed Shujait

AU - Wang, Yanjing

AU - Mohammad, Anwar

AU - Wei, Dong-Qing

PY - 2022

Y1 - 2022

N2 - A new variant of SARS-CoV-2 known as the omicron variant (B.1.1.529) reported in South Africa with 30 mutations in the whole spike protein, among which 15 mutations are in the receptor-binding domain, is continuously spreading exponentially around the world.

AB - A new variant of SARS-CoV-2 known as the omicron variant (B.1.1.529) reported in South Africa with 30 mutations in the whole spike protein, among which 15 mutations are in the receptor-binding domain, is continuously spreading exponentially around the world.

U2 - 10.1039/d2ra00277a

DO - 10.1039/d2ra00277a

M3 - Article

SN - 2046-2069

VL - 12

SP - 7318

EP - 7327

JO - RSC Advances

JF - RSC Advances

IS - 12

ER -

blocking key mutated hotspot residues in the rbd of the omicron variant (b.1.1.529) with medicinal compounds to disrupt the rbd-hace2 complex using molecular screening and simulation approaches

Abstract

Funding Agency

UN SDGs

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