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

35 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)

Access to Document

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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