DrugDevCovid19: An Atlas of Anti-COVID-19 Compounds Derived by Computer-Aided Drug DesignDrugDevcovid19 : 컴퓨터 보조 약물 설계에 의해 유래 된 항 코비드 -19 화합물의 아틀라스Review Published on 2022-01-212022-08-31 Journal: Molecules [Category] 신약개발, 치료제, [키워드] analyses analyzed Atla bioinformatics Compound computer-aided drug design COVID-19 COVID-19 therapeutics database docking drug drug design facilitate feature Neck organized outbreak performed SARS-CoV-2 structures subsequent target protein these compounds valuable resource [DOI] 10.3390/molecules27030683 PMC 바로가기 [Article Type] Review
Commercial SARS-CoV-2 Targeted, Protease Inhibitor Focused and Protein–Protein Interaction Inhibitor Focused Molecular Libraries for Virtual Screening and Drug DesignReview Published on 2021-12-302022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, SARS, [키워드] Analysis applied approaches caused Compound computer-aided drug design COVID-19 disease docking drug drug design evaluated Final focused libraries functional global pandemic High-throughput virtual screening IMPROVE in silico drug design Inclusion information inhibitor lack library Ligand majority molecular molecular docking offered potential therapeutic target Protein protocol provided raised receptor reported SARS-CoV-2 Screening structure-based design target targeted libraries Virtual screening were given [DOI] 10.3390/ijms23010393 PMC 바로가기 [Article Type] Review
Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico ApproachArticle Published on 2021-12-182022-10-28 Journal: Pharmaceuticals [Category] COVID-19, [키워드] Ability ACE2 receptor addressed Admission Algorithm applied approaches binding binding affinity cells Combination complexes Compound computer-aided drug design COVID-19 docking domain drug effective feature help human cells hydrophobic pocket identify in silico Infection inhibition interactions lack Ligand ligands machine machine learning medication molecular molecular docking molecular dynamics (MD) simulations Molecular simulation natural natural compounds plethora RBD receptor Receptor-binding domain SARS-CoV-2 virus SARS-CoV-2: RBD Specific the RBD the spike protein treat Trial triggered Virtual screening virus was obtained were used [DOI] 10.3390/ph14121328 PMC 바로가기 [Article Type] Article
Drug Repurposing to Identify Nilotinib as a Potential SARS-CoV-2 Main Protease Inhibitor: Insights from a Computational and In Vitro Study잠재적인 SARS-CoV-2 주요 프로테아제 억제제로 닐로티닙을 식별하기 위한 약물 용도 변경: 전산 및 시험관 연구에서 얻은 통찰력Article Published on 2021-11-222022-09-11 Journal: Journal of Chemical Information and Modeling [Category] SARS, 신약개발, 치료제, [키워드] 6LU7 active site Analysis antiviral activity antiviral therapeutics Bank bemcentinib binding affinity binding energy Cell culture computer-aided drug design COVID-19 database drug Drug Bank drug candidate drug design Drug repurposing drugs experiment Glu166 high accuracy His41 independent indication inhibitor insight Interaction M pro MD simulation MD simulations medication molecular molecular docking molecular dynamics Molecular dynamics simulation Nilotinib pandemic Partial Potential predicted repurposing researcher SARS-CoV-2 sequence significantly strength subset suggested the binding affinity the SARS-CoV-2 Viral pneumonia Virtual screening was performed were measured [DOI] 10.1021/acs.jcim.1c00524 PMC 바로가기 [Article Type] Article
Screening out anti-inflammatory or anti-viral targets in Xuanfei Baidu Tang through a new technique of reverse finding target리버스 찾기 목표의 새로운 기술을 통해 Xuanfei Baidu Tang에서 항 염증 또는 항 바이러스 표적을 선별Article Published on 2021-11-012022-08-31 Journal: Bioorganic chemistry [Category] SARS, 신약개발, 치료제, [키워드] Anti-inflammatory Anti-viral Baidu Chinese Compound computer-aided drug design COVID-19 database Discovery Studio drug Effect effective help herbal medicine identify multi PDB predict Protein Data Bank protein p53 Reverse finding target screened Screening searched synergistic target targets The traditional Chinese herbal medicine. TP53 Traditional Treatment treatment of COVID-19 Tumor [DOI] 10.1016/j.bioorg.2021.105274 PMC 바로가기 [Article Type] Article
Accelerating antibiotic discovery through artificial intelligenceReview Article Published on 2021-09-092022-10-04 Journal: Communications Biology [Category] 신약개발, [키워드] antibiotic Antibiotics Antimicrobials Computational drug computational method computer-aided drug design de novo dimension Drug discovery drug-likeness drug-resistant Efficacy evolutionary arms race form inquiry invasive machine learning molecular offer Organisms pathogen peptides proliferation replaced reproducibility Research Stride therapy traits urgency [DOI] 10.1038/s42003-021-02586-0 PMC 바로가기 [Article Type] Review Article
An Updated Review of Computer-Aided Drug Design and Its Application to COVID-19Review Published on 2021-06-242022-10-27 Journal: BioMed Research International [Category] [키워드] accelerated acute respiratory syndrome application approved drug category clinicians and researcher computer-aided drug design coronavirus coronavirus disease COVID-19 drug drug candidate drug design Drug discovery drug target fatal disease Health help helping highlight implicated include involved lack management molecular molecular docking outbreak pandemic Pathogenesis pharmacological Quantitative researcher review SARS-CoV-2 therapeutic molecules Vaccine [DOI] 10.1155/2021/8853056 PMC 바로가기 [Article Type] Review
An Updated Review of Computer-Aided Drug Design and Its Application to COVID-19Review Published on 2021-06-242022-10-27 Journal: BioMed Research International [Category] COVID-19, SARS, [키워드] accelerated acute respiratory syndrome application approved drug category clinicians and researcher computer-aided drug design coronavirus coronavirus disease COVID-19 drug drug candidate drug design Drug discovery drug target fatal disease Health help helping highlight implicated include involved lack management molecular molecular docking outbreak pandemic Pathogenesis pharmacological Quantitative researcher review SARS-CoV-2 therapeutic molecules Vaccine [DOI] 10.1155/2021/8853056 PMC 바로가기 [Article Type] Review
An Updated Review of Computer-Aided Drug Design and Its Application to COVID-19컴퓨터 보조 약물 설계에 대한 업데이트 된 검토 및 Covid-19에 대한 적용Review Published on 2021-06-242022-09-10 Journal: BioMed Research International [Category] 신약개발, 치료제, [키워드] accelerated acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 application approved drug approved drugs artificial intelligence category clinicians and researcher computer-aided drug design coronavirus coronavirus disease COVID-19 drug drug candidate drug design Drug discovery drug target fatal disease Health help helping highlight implicated include involved lack management molecular molecular docking outbreak pandemic Pathogenesis pharmacological Quantitative researcher respiratory review SARS-CoV-2 severe acute respiratory syndrome Coronavirus therapeutic molecules Vaccine [DOI] 10.1155/2021/8853056 PMC 바로가기 [Article Type] Review
A Multidisciplinary Approach to Coronavirus Disease (COVID-19)코로나바이러스 질병(COVID-19)에 대한 다학제적 접근Review Published on 2021-06-092022-09-10 Journal: Molecules [Category] MERS, SARS, 신약개발, 유전자 메커니즘, 진단, 치료제, [키워드] addition Anti-inflammatory Antibacterial anticancer Antihistamine antiparasitic antipsychotic Antiviral approach components Compound compounds computer-aided drug design COVID-19 Cytokine storm develop dietary supplement dietary supplements disease explain food safety functional functional food highlight immune response Immunotherapy in-silico research mechanism mechanism of action molecular natural products overcome priority repurposing drugs Research SARS-CoV-2 SARS-CoV-2 virus security Seven small drugs Structure subject synthesis targets tested the SARS-CoV-2 virus Therapeutic approach therapeutic approaches Therapeutics Treatment Vaccine Vaccine development virus [DOI] 10.3390/molecules26123526 PMC 바로가기 [Article Type] Review