Incompatibility of antimalarial drugs: challenges in formulating combination products for malariaarticle Published on 2024-12-312024-09-01 Journal: Drug Delivery [Category] 말라리아, [키워드] Artemether fatty acids incompatibility Lumefantrine malaria solubility [Article Type] article
Leveraging SARS-CoV-2 Main Protease (M pro ) for COVID-19 Mitigation with Selenium-Based InhibitorsArticle Published on 2024-01-122024-09-05 Journal: International Journal of Molecular Sciences [Category] update2024, [키워드] coronavirus COVID-19 hydrolysis inhibitor main protease SARS-CoV-2 solubility [DOI] 10.3390/ijms25020971 PMC 바로가기 [Article Type] Article
Structure-Activity Relationships and Antiplasmodial Potencies of Novel 3,4-Disubstituted 1,2,5-OxadiazolesArticle Published on 2023-09-232024-08-28 Journal: International Journal of Molecular Sciences [Category] 말라리아, [키워드] 1,2,5-oxadiazoles antimalarial CYP3A4-inhibition Plasmodium falciparum solubility
Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virusSARS-CoV-2 바이러스의 주요 프로테아제에 대한 침엽수 껍질 추출 시 확인된 화합물의 분자 도킹 및 기계 학습 친화도 예측Article Published on 2022-09-012022-09-11 Journal: Biophysical chemistry [Category] COVID19(2023년), SARS, 치료제, [키워드] 3CL pro 3CL(pro) addition antiviral activity approaches Compound compounds docking docking result docking results docking score docking scores Druglikeness evaluate evaluated extraction FIVE machine machine learning molecular molecular docking molecular docking studies Molecular docking study molecular dynamics pharmacological protease SARS-CoV-2 SARS-CoV-2 virus Softwood Softwood bark. solubility TensorFlow the SARS-CoV-2 virus unique [DOI] 10.1016/j.bpc.2022.106854 PMC 바로가기 [Article Type] Article
In silico SARS-CoV-2 vaccine development for Omicron strain using reverse vaccinology역백신학을 이용한 오미크론 균주에 대한 In silico SARS-CoV-2 백신 개발Article Published on 2022-08-012022-09-11 Journal: Genes & genomics [Category] COVID19(2023년), SARS, 변종, [키워드] 3D structure 3D Structures ACE2 ACE2 receptor acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 allergenicity angiotensin angiotensin converting enzyme angiotensin converting enzyme 2 antigenic antigenicity applied B cell epitope B cell epitopes B.1.1.529 binding collected coronavirus develop Efficacy effort enzyme epitope Epitopes estimation final vaccine construct Health Organization in silico MHC I MHC II molecular docking analysis Mutation non-allergenic non-toxic omicron pandemic Physicochemical properties physicochemical property predict predicted Prevent profile RaptorX reduce reverse vaccinology SARS-CoV-2 SARS-CoV-2 vaccine second secondary structure secondary structures selected severe acute respiratory syndrome Coronavirus solubility Spread stability Structure tested the vaccine Toxicity Vaccine vaccine candidate vaccine construct Vaccine design Vaccines variant viral genome sequences virus VoC was performed were used WHO wild type World Health Organization [DOI] 10.1007/s13258-022-01255-8 PMC 바로가기 [Article Type] Article
Production of a functionally active recombinant SARS-CoV-2 (COVID-19) 3C-like protease and a soluble inactive 3C-like protease-RBD chimeric in a prokaryotic expression system원핵생물 발현 시스템에서 기능적으로 활성인 재조합 SARS-CoV-2(COVID-19) 3C 유사 프로테아제 및 가용성 불활성 3C 유사 프로테아제-RBD 키메라의 생산Article Published on 2022-06-202022-09-11 Journal: Epidemiology and Infection [Category] COVID19(2023년), SARS, 치료제, [키워드] 3C-like protease acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 addition antigenicity approach blocked carrier cells Chimer chimeric chymotrypsin co-expressed complex coronavirus COVID-19 COVID-19 vaccines cysteine cysteine protease cysteine proteases dimeric disease drug ELISAs enzyme Escherichia coli Escherichia coli BL21 exhibit expression function inactive inhibitors inhibitory main protease non-structural protein non-structural proteins Papain Papain-like protease PLPro polyproteins pp1a pp1ab processing produced Production prokaryotic expression system protease Proteases Protein purification RBD Receptor binding domain RTC SARS-CoV-2 Serine serum severe acute respiratory syndrome Coronavirus solubility Spike protein target tested the Spike Transcription vaccinated individual vaccinated individuals viral replication [DOI] 10.1017/S0950268822001078 PMC 바로가기 [Article Type] Article
Cuspareine as alkaloid against COVID-19 designed with ionic liquids: DFT and docking molecular approaches이온성 액체로 설계된 COVID-19에 대한 알칼로이드로서의 쿠스파레인: DFT 및 도킹 분자 접근법Article Published on 2022-06-012022-09-11 Journal: Journal of photochemistry and photobiology. B, Bio [Category] 치료제, [키워드] addition alkaloid Antiviral antiviral agent approach binding energy calculated can be used cation COVID-19 Cuspareine density Density functional theory docking Docking molecular functional highest Interaction introduced investigated involved Ionic liquids molecular molecular docking molecular docking studies Molecular docking study parameters protease reactivity residue Result solubility thermodynamic Treatment treatment of COVID-19 was performed water [DOI] 10.1016/j.jphotobiol.2022.112447 PMC 바로가기 [Article Type] Article
A Multi-Disulfide Receptor-Binding Domain (RBD) of the SARS-CoV-2 Spike Protein Expressed in E. coli Using a SEP-Tag Produces Antisera Interacting with the Mammalian Cell Expressed Spike (S1) ProteinArticle Published on 2022-02-012022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, [키워드] Escherichia coli expression accelerate ACE2 addition Analysis Antisera arginine residue binding activity C-terminus demonstrated denaturation disulfide bond E. coli elicited ELISA Epitopes Escherichia coli expressed expression Final FIVE fusion tag Host IgG immune response immunogenicity Inclusion mice nine overcome peptide Produce RBD receptor resulting scattering significantly solubility soluble fraction spike Spike protein the receptor-binding domain the SARS-CoV-2 Wuhan-Hu-1 [DOI] 10.3390/ijms23031703 PMC 바로가기 [Article Type] Article
The pH Dependence of Niclosamide Solubility, Dissolution, and Morphology: Motivation for Potentially Universal Mucin-Penetrating Nasal and Throat Sprays for COVID19, its Variants and other Viral Infections니클로사미드 용해도, 용해도 및 형태의 pH 의존성: COVID19, 그 변종 및 기타 바이러스 감염에 대한 잠재적으로 보편적인 점액 침투 비강 및 인후 스프레이에 대한 동기Article Published on 2022-01-012022-09-11 Journal: Pharmaceutical research [Category] 변종, 치료제, [키워드] Bioavailability cold chain Concentration concentrations contagious coronavirus COVID19 dependence dissolution distribution early treatment effective Efficacy epithelial cells Final help host cell host cell modulation Infection Local morphology motivation much lower nasal niclosamide niclosamide-solubility observé pandemic pH-dependent-dissolution polymorph precipitated Prevent Prophylactic reduce respiratory viral infections resulting sigma solubility Spectroscopy spray supernatant supersaturated solution Throat treat Universal universal nasal-throat-spray variants viral infection viral infections Viral load was used were measured [DOI] 10.1007/s11095-021-03112-x PMC 바로가기 [Article Type] Article
l -Arginine Improves Solubility and ANTI SARS-CoV-2 Mpro Activity of Rutin but Not the Antiviral Activity in Cellsl-아르기닌은 루틴의 용해도 및 ANTI SARS-CoV-2 Mpro 활성을 개선하지만 세포의 항바이러스 활성은 개선하지 않습니다Article Published on 2021-10-072022-09-10 Journal: Molecules [Category] SARS, 신약개발, 치료제, [키워드] l-arginine activity anti-SARS-CoV-2 arginine cellular COVID-19 pandemic drug in silico inhibitor main protease mixture outbreak pharmaceutical preparations pharmacokinetic pharmacological quercetin rutin SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 Mpro solubility starting point Test water [DOI] 10.3390/molecules26196062 PMC 바로가기 [Article Type] Article