Detalhe da pesquisa
1.
Improving the substrate binding of acetyl-CoA carboxylase (AccB) from Streptomyces antibioticus through computational enzyme engineering.
Biotechnol Appl Biochem
; 71(2): 402-413, 2024 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-38287712
2.
Exploring the medicinal potential of Dark Chemical Matters (DCM) to design promising inhibitors for PLpro of SARS-CoV-2 using molecular screening and simulation approaches.
Saudi Pharm J
; 31(10): 101775, 2023 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-37719892
3.
Characterization of proteome wide antigenic epitopes to design proteins specific and proteome-wide ensemble vaccines against heartland virus using structural vaccinology and immune simulation approaches.
Microb Pathog
; 168: 105592, 2022 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-35595178
4.
Ultra-Large-Scale Screening of Natural Compounds and Free Energy Calculations Revealed Potential Inhibitors for the Receptor-Binding Domain (RBD) of SARS-CoV-2.
Molecules
; 27(21)2022 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36364143
5.
Higher infectivity of the SARS-CoV-2 new variants is associated with K417N/T, E484K, and N501Y mutants: An insight from structural data.
J Cell Physiol
; 236(10): 7045-7057, 2021 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-33755190
6.
Preliminary Structural Data Revealed That the SARS-CoV-2 B.1.617 Variant's RBD Binds to ACE2 Receptor Stronger Than the Wild Type to Enhance the Infectivity.
Chembiochem
; 22(16): 2641-2649, 2021 08 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34160124
7.
HantavirusesDB: Vaccinomics and RNA-based therapeutics database for the potentially emerging human respiratory pandemic agents.
Microb Pathog
; 160: 105161, 2021 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-34461244
8.
Proteome wide vaccine targets prioritization and designing of antigenic vaccine candidate to trigger the host immune response against the Mycoplasma genitalium infection.
Microb Pathog
; 152: 104771, 2021 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-33524568
9.
Over-the-counter medicines in Pakistan: misuse and overuse.
Lancet
; 395(10218): 116, 2020 01 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-31929013
10.
In silico and in vitro evaluation of kaempferol as a potential inhibitor of the SARS-CoV-2 main protease (3CLpro).
Phytother Res
; 35(6): 2841-2845, 2021 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-33448101
11.
Sucrose-enhanced biosynthesis of medicinally important antioxidant secondary metabolites in cell suspension cultures of Artemisia absinthium L.
Bioprocess Biosyst Eng
; 39(12): 1945-1954, 2016 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-27515537
12.
Immunoinformatic based designing of potential immunogenic novel mRNA and peptide-based prophylactic vaccines against H5N1 and H7N9 avian influenza viruses.
J Biomol Struct Dyn
; 42(7): 3641-3658, 2024 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-37222664
13.
Network-base approaches to identify therapeutic biomarkers in hepatocellular carcinoma and search for drug hunting utilizing molecular dynamics simulations.
J Biomol Struct Dyn
; : 1-17, 2024 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38486461
14.
Out of Africa: Miocene dispersal, vicariance, and extinction within Hyacinthaceae subfamily Urgineoideae.
J Integr Plant Biol
; 55(10): 950-64, 2013 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-23675765
15.
Structural plasticity of omicron BA.5 and BA.2.75 for enhanced ACE-dependent entry into cells.
J Biomol Struct Dyn
; 41(20): 10762-10773, 2023 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-36541923
16.
Structural insights into the effect of mutations in the spike protein of SARS-CoV-2 on the binding with human furin protein.
Heliyon
; 9(4): e15083, 2023 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-37064465
17.
Structural vaccinology-based design of multi-epitopes vaccine against Streptococcus gordonii and validation using molecular modeling and immune simulation approaches.
Heliyon
; 9(5): e16148, 2023 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-37234653
18.
Inferences of biogeographical histories within subfamily Hyacinthoideae using S-DIVA and Bayesian binary MCMC analysis implemented in RASP (Reconstruct Ancestral State in Phylogenies).
Ann Bot
; 109(1): 95-107, 2012 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-22039008
19.
The Omicron (B.1.1.529) variant of SARS-CoV-2 binds to the hACE2 receptor more strongly and escapes the antibody response: Insights from structural and simulation data.
Int J Biol Macromol
; 200: 438-448, 2022 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-35063482
20.
Mutational analysis of the spike protein of SARS-COV-2 isolates revealed atomistic features responsible for higher binding and infectivity.
Front Cell Dev Biol
; 10: 940863, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36733340