physicochemical – Page 2 – Communicable Diseases Research

Anisotine and amarogentin as promising inhibitory candidates against SARS-CoV-2 proteins: a computational investigation

SARS-CoV-2 단백질에 대한 유망한 억제 후보로서의 아니소틴 및 아마로젠틴: 전산 조사

Article

Published on 2022-07-012022-09-11
Journal: Journal of biomolecular structure & dynamics
[Category] COVID19(2023년), SARS, 치료제,

Characterization of nanoparticles-based vaccines for COVID-19

Reviews

Published on 2022-06-162022-10-05
Journal: Nature nanotechnology
[Category] 임상, 치료기술,

[키워드] Antigen assays characterization Combination COVID-19 effective vaccine Efficacy Health help immunological intrinsic nanomedicine nucleic acids physicochemical PROTECT Protein Regulatory Safe Streamline Vaccine
[DOI] 10.1038/s41565-022-01129-w [Article Type] Reviews

Revealing the toxicity of lopinavir- and ritonavir-containing water and wastewater treated by photo-induced processes to Danio rerio and Allivibrio fischeri

Danio rerio 및 Allivibrio fischeri에 광유도 공정으로 처리된 로피나비르 및 리토나비르 함유 용수 및 폐수의 독성 공개

Article

Published on 2022-06-102022-09-11
Journal: The Science of the total environment
[Category] 치료제,

[Vaccines against coronavirus disease 2019 (COVID-19) : Efficacy comparison, safety aspects, and current challenges]

[2019 코로나바이러스 감염증(COVID-19) 예방백신 : 효능비교, 안전성 측면 및 당면과제]

Review

Published on 2022-06-012022-09-11
Journal: Innere Medizin (Heidelberg, Germany)
[Category] MERS, 변종, 진단,

[키워드] activated Adaptability adjuvant adjuvants adverse effects CD4 CD4+ cellular children coronavirus disease Coronavirus disease 2019 COVID-19 COVID-19 vaccines COVID-19 vaccines/adverse effects disadvantage Disadvantages English Formulation humoral Humoral immunity Immunity, cellular Immunity, humoral Immunocompromised patients Immunosuppression mRNA vaccines mRNA vaccines. myocarditis Neutralizing antibodies neutralizing antibody pandemic patients physicochemical pregnant women Spectrum Spike protein stability the spike protein thrombotic Thrombotic thrombocytopenia titer vaccination Vaccine vector Viral Viral variants
[DOI] 10.1007/s00108-022-01325-9 PMC 바로가기 [Article Type] Review

Addition of arginine hydrochloride and proline to the culture medium enhances recombinant protein expression in Brevibacillus choshinensis: The case of RBD of SARS-CoV-2 spike protein and its antibody

arginine hydrochloride와 proline을 배지에 첨가하면 Brevibacillus choshinensis에서 재조합 단백질 발현이 향상됩니다: SARS-CoV-2 스파이크 단백질의 RBD 및 그 항체의 경우

Article

Published on 2022-06-012022-09-11
Journal: Protein expression and purification
[Category] COVID19(2023년), MERS, SARS, 변종, 진단,

[키워드] 96-well plates addition analysis anti-SARS-CoV-2 antibody antibody arginine arginine hydrochloride B.1.1.529 Bacterial bacterial cell bacterial cells bacterial strains Brevibacillus Cell condition contribute CoV-2 Culture culture medium demonstrated ENhance Escherichia coli eukaryotic eukaryotic cell exhibited expressed expression Fab functional functional expression gram-positive bacterium High-throughput expression and purification indicated medium Omicron variant physicochemical produced producing proline Protein protein expression Proteins purification RBD RBD of SARS-CoV-2 RBD. Receptor binding domain recombinant proteins reported SARS-CoV-2 spike protein secrete Spike protein strain the SARS-CoV-2 wild-type
[DOI] 10.1016/j.pep.2022.106075 PMC 바로가기 [Article Type] Article

In silico study of potential antiviral activity of copper(II) complexes with non-steroidal anti-inflammatory drugs on various SARS-CoV-2 target proteins

다양한 SARS-CoV-2 표적 단백질에 대한 비스테로이드성 항염증제와 구리(II) 복합체의 잠재적 항바이러스 활성에 대한 실리코 연구

Article

Published on 2022-06-012022-09-11
Journal: Journal of inorganic biochemistry
[Category] COVID19(2023년), SARS, 치료제,

[키워드] 3C–like cysteine main protease antiviral activity Antiviral agents biological activity Cancer cell line clonixin complex complexes copper coronavirus 2 Coronavirus 2019 COVID-19 cysteine cytotoxic cytotoxic activity distribution drug-likeness evaluated fenoprofen FIVE ibuprofen in silico in silico predictive tools. in vitro ligands loxoprofen M pro metabolism molecular docking studies non-steroidal anti-inflammatory drug Non-steroidal anti-inflammatory drugs non-structural protein non-structural proteins nsp10 Nsp16–Nsp10 2′–O–methyltransferase complex Nsps pandemic Papain-like protease Papain–like protease performed pharmacokinetic pharmacokinetic data physicochemical PLPro Predictive protease Protein RdRP respiratory RNA RNA-dependent RNA polymerase RNA–dependent RNA polymerase SARS-CoV-2 SARS–CoV–2 target proteins Severe acute respiratory syndrome severe acute respiratory syndrome Coronavirus silico predictions target protein target proteins therapeutic target Toxicity
[DOI] 10.1016/j.jinorgbio.2022.111805 PMC 바로가기 [Article Type] Article

SM-COLSARSPROT: Highly Immunogenic Supramutational Synthetic Peptides Covering the World’s Population

SM-COLSARSPROT: 전 세계 인구를 대상으로 하는 고 면역원성 초돌연변이 합성 펩타이드

Article

Published on 2022-05-252022-09-11
Journal: Frontiers in Immunology
[Category] COVID19(2023년), SARS, 변종,

[키워드] Amino acid Antibody titre Antigen presentation approach backbone complementary concerning Coverage Covering disrupting DNA E protein genetic variability Genetic variant genotyped histocompatibility complex human leukocyte antigen immune response induce Interaction leukocyte major histocompatibility complex methodology MHCII modified synthetic peptides molecular multiepitope mutant mutational variants Neutralising Antibodies neutralising antibody pandemic parental peptide peptides physicochemical polymorphism Population predicted replacing residues SARS-CoV-2 SARS-CoV-2 S selected Specific Structure supramutational synthesised synthetic synthetic peptides Trial Vaccine development vaccine for COVID-19 virus worldwide coverage. π-π interaction
[DOI] 10.3389/fimmu.2022.859905 PMC 바로가기 [Article Type] Article

Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19

QSAR, 분자 도킹, 분자 동적 시뮬레이션 및 MM-PBSA의 조합: COVID-19에 대한 잠재적 약물 후보로서 로피나비르 및 파비피라비르의 유사체

Article

Published on 2022-05-012022-09-11
Journal: Journal of biomolecular structure & dynamics
[Category] COVID19(2023년), SARS, 치료제,

[키워드] Absorption active site analogue analysis anti-viral drug Anti-viral drugs binding affinity candidate Candidates Compound COVID-19 COVID-19 infection COVID-19 infections demonstrated disease distribution docked complex docking drug candidate druggability effective enzyme Enzymes Favipiravir feature form identify IMPROVE in vitro inhibit Interaction less Lopinavir M pro metabolism Modification molecular molecular docking molecular dynamic simulations molecular dynamics Molecular dynamics simulation novel drug physicochemical polyprotein polyproteins processing protease Protease. QSAR Quantitative RdRP Replication residue RNA RNA polymerase RNA-dependent RNA polymerase SARS-CoV-2 selected shown significantly small molecule Small molecules Spread stable complex Toxicity trajectory translated Treatment Viral RNA viral RNA-dependent RNA polymerase
[DOI] 10.1080/07391102.2020.1850355 PMC 바로가기 [Article Type] Article

Methyl β-D-galactopyranoside esters as potential inhibitors for SARS-CoV-2 protease enzyme: synthesis, antimicrobial, PASS, molecular docking, molecular dynamics simulations and quantum computations

SARS-CoV-2 프로테아제 효소에 대한 잠재적 억제제로서의 메틸 β-D-갈락토피라노사이드 에스테르: 합성, 항균, PASS, 분자 도킹, 분자 역학 시뮬레이션 및 양자 계산

Article

Published on 2022-04-012022-09-11
Journal: Glycoconjugate journal
[Category] Coronavirus, COVID19(2023년), SARS, 치료제,

[키워드] activate active site activities aliphatic antimicrobial aromatic ASN142 AutoDock AutoDock vina Bacillus subtilis Bacteria binding affinities binding modes can be used chemical structures Combination Compound computation Concentration Cys145 demonstrated Density functional theory determine distribution docking drug-likeness drugs Efficacy electrostatic enthalpy Escherichia coli evaluated FIVE free energy fungal pathogens fungi Gly143 group His41 hydrogen Hydrogen bond in silico in vitro inhibitor inhibitory concentration Interaction kinetic MBC metabolism Methyl β-D-galactopyranoside MGP molecular molecular docking molecular dynamics Molecular dynamics simulation Pass Pathogens performed pharmacokinetic physicochemical protease residues SAR SARS-CoV-2 main protease SARS-CoV-2 protease SARS-CoV-2 protease. selected statistical analysis Strains Structure structure activity relationship sugar synthesis the binding affinity the SARS-CoV-2 theory THR26 Toxicity treated variety
[DOI] 10.1007/s10719-021-10039-3 PMC 바로가기 [Article Type] Article

Ligand-based quantitative structural assessments of SARS-CoV-2 3CLpro inhibitors: An analysis in light of structure-based multi-molecular modeling evidences

Research article

Published on 2022-03-012022-10-05
Journal: Journal of Molecular Structure
[Category] 신약개발,