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Simulation.

A simulation is a model of a functioning system or process that is meant to be an exact or very ... More
Salem Press Encyclopedia, 2022. 3p.

Academic Journal

Ligand-based drug design against Herpes Simplex Virus-1 capsid protein by modification of limonene through in silico approaches.

Authors : Islam MR; Department of Pharmacy, Faculty of Allied Health Sciences, Daffodil International University, Dhaka, Bangladesh, 1207.; Islam Sovon MS

Subjects: Limonene*/Limonene*/Limonene*/chemistry ; Limonene*/Limonene*/Limonene*/pharmacology ; Herpesvirus 1, Human*/Herpesvirus 1, Human*/Herpesvirus 1, Human*/drug effects

Source: Scientific reports [Sci Rep] 2024 Apr 29; Vol. 14 (1), pp. 9828. Date of Electronic Publication: 2024 Apr 29.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

In Silico Comparison of Bioactive Compounds Characterized from Azadirachta indica with an FDA-Approved Drug against Schistosomal Agents: New Insight into Schistosomiasis Treatment.

Authors : Oyinloye BE; Phytomedicine, Biochemical Toxicology and Biotechnology Research Laboratories, Department of Biochemistry, College of Sciences, Afe Babalola University, PMB 5454, Ado-Ekiti 360001, Nigeria.; Biotechnology and Structural Biology (BSB) Group, Department of Biochemistry and Microbiology, University of Zululand, KwaDlangezwa 3886, South Africa.

Subjects: Azadirachta*/Azadirachta*/Azadirachta*/chemistry ; Molecular Docking Simulation* ; Dihydroorotate Dehydrogenase*

Source: Molecules (Basel, Switzerland) [Molecules] 2024 Apr 23; Vol. 29 (9). Date of Electronic Publication: 2024 Apr 23.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

A Comprehensive Study to Unleash the Putative Inhibitors of Serotype2 of Dengue Virus: Insights from an In Silico Structure-Based Drug Discovery.

Authors : Halder SK; Department of Biochemistry and Molecular Biology, Jahangirnagar University, Savar, Dhaka, 1342, Bangladesh.; Division of Computer Aided Drug Design, BioAid, Mirpur, Dhaka, 1216, Bangladesh.

Subjects: Dengue Virus*/Dengue Virus*/Dengue Virus*/drug effects ; Dengue Virus*/Dengue Virus*/Dengue Virus*/genetics ; Antiviral Agents*/Antiviral Agents*/Antiviral Agents*/pharmacology

Source: Molecular biotechnology [Mol Biotechnol] 2024 Apr; Vol. 66 (4), pp. 612-625. Date of Electronic Publication: 2022 Oct 28.Publisher: Springer Country of Publication: Switzerland NLM ID: 9423533 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Identification of DprE1 inhibitors for tuberculosis through integrated in-silico approaches.

Authors : Dash S; Department of Pharmaceutical Chemistry, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, Karnataka, India, 576104.; Rathi E

Subjects: Molecular Docking Simulation* ; Quantitative Structure-Activity Relationship* ; Antitubercular Agents*/Antitubercular Agents*/Antitubercular Agents*/chemistry

Source: Scientific reports [Sci Rep] 2024 May 17; Vol. 14 (1), pp. 11315. Date of Electronic Publication: 2024 May 17.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Phytoconstituents of Artemisia Annua as potential inhibitors of SARS CoV2 main protease: an in silico study.

Authors : Irfan E; Department of Bioinformatics and Biosciences, Faculty of Health and Life Sciences Capital, University of Science and Technology, (CUST), Islamabad, Pakistan.; Dilshad E

Subjects: SARS-CoV-2*/SARS-CoV-2*/SARS-CoV-2*/drug effects ; SARS-CoV-2*/SARS-CoV-2*/SARS-CoV-2*/enzymology ; Artemisia annua*/Artemisia annua*/Artemisia annua*/chemistry

Source: BMC infectious diseases [BMC Infect Dis] 2024 May 15; Vol. 24 (1), pp. 495. Date of Electronic Publication: 2024 May 15.Publisher: BioMed Central Country of Publication: England NLM ID: 100968551 Publication Model: Electronic Cited Medium: Internet ISSN: 1471-2334

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Academic Journal

Anti-inflammatory and anti-diabetic properties of indanone derivative isolated from Fernandoa adenophylla in vitro and in silico studies.

Authors : Rauf A; Department of Chemistry, University of Swabi, Swabi, Anbar, 23430, Khyber Pakhtunkhwa (KP), Pakistan. .; Rashid U

Subjects: Hypoglycemic Agents*/Hypoglycemic Agents*/Hypoglycemic Agents*/pharmacology ; Hypoglycemic Agents*/Hypoglycemic Agents*/Hypoglycemic Agents*/chemistry ; Anti-Inflammatory Agents*/Anti-Inflammatory Agents*/Anti-Inflammatory Agents*/pharmacology

Source: Scientific reports [Sci Rep] 2024 Apr 26; Vol. 14 (1), pp. 9624. Date of Electronic Publication: 2024 Apr 26.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Anti-Obesity Therapeutic Targets Studied In Silico and In Vivo: A Systematic Review.

Authors : de Medeiros WF; Nutrition Postgraduate Program, Center for Health Sciences, Federal University of Rio Grande do Norte, Natal 59078-900, Brazil.; Gomes AFT

Subjects: Obesity*/Obesity*/Obesity*/drug therapy ; Obesity*/Obesity*/Obesity*/metabolism ; Computer Simulation*

Source: International journal of molecular sciences [Int J Mol Sci] 2024 Apr 25; Vol. 25 (9). Date of Electronic Publication: 2024 Apr 25.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Exploring the Anticancer Potential of Semisynthetic Derivatives of 7α-Acetoxy-6β-hydroxyroyleanone from Plectranthus sp.: An In Silico Approach.

Authors : Merecz-Sadowska A; Department of Economic and Medical Informatics, University of Lodz, 90-214 Lodz, Poland.; Department of Allergology and Respiratory Rehabilitation, Medical University of Lodz, 90-725 Lodz, Poland.

Subjects: Molecular Docking Simulation* ; Molecular Dynamics Simulation* ; Plectranthus*/Plectranthus*/Plectranthus*/chemistry

Source: International journal of molecular sciences [Int J Mol Sci] 2024 Apr 20; Vol. 25 (8). Date of Electronic Publication: 2024 Apr 20.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Anticancer Effects of Abietane Diterpene 7α-Acetoxy-6β-hydroxyroyleanone from Plectranthus grandidentatus and Its Semi-Synthetic Analogs: An In Silico Computational Approach.

Authors : Isca VMS; Center for Research in Biosciences & Health Technologies (CBIOS), Universidade Lusófona de Humanidades e Tecnologias, 1749-024 Lisbon, Portugal.; Sitarek P

Subjects: Abietanes*/Abietanes*/Abietanes*/chemistry ; Abietanes*/Abietanes*/Abietanes*/pharmacology ; Molecular Docking Simulation*

Source: Molecules (Basel, Switzerland) [Molecules] 2024 Apr 16; Vol. 29 (8). Date of Electronic Publication: 2024 Apr 16.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Dioxinodehydroeckol: A Potential Neuroprotective Marine Compound Identified by In Silico Screening for the Treatment and Management of Multiple Brain Disorders.

Authors : Ahmad F; Department of Medical Elementology and Toxicology, Jamia Hamdard University, Delhi, India. .; Sachdeva P

Subjects: Molecular Docking Simulation* ; Neuroprotective Agents*/Neuroprotective Agents*/Neuroprotective Agents*/pharmacology ; Neuroprotective Agents*/Neuroprotective Agents*/Neuroprotective Agents*/chemistry

Source: Molecular biotechnology [Mol Biotechnol] 2024 Apr; Vol. 66 (4), pp. 663-686. Date of Electronic Publication: 2022 Dec 13.Publisher: Springer Country of Publication: Switzerland NLM ID: 9423533 Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Simulation.

Ligand-based drug design against Herpes Simplex Virus-1 capsid protein by modification of limonene through in silico approaches.

In Silico Comparison of Bioactive Compounds Characterized from Azadirachta indica with an FDA-Approved Drug against Schistosomal Agents: New Insight into Schistosomiasis Treatment.

A Comprehensive Study to Unleash the Putative Inhibitors of Serotype2 of Dengue Virus: Insights from an In Silico Structure-Based Drug Discovery.

Identification of DprE1 inhibitors for tuberculosis through integrated in-silico approaches.

Phytoconstituents of Artemisia Annua as potential inhibitors of SARS CoV2 main protease: an in silico study.

Anti-inflammatory and anti-diabetic properties of indanone derivative isolated from Fernandoa adenophylla in vitro and in silico studies.

Anti-Obesity Therapeutic Targets Studied In Silico and In Vivo: A Systematic Review.

Exploring the Anticancer Potential of Semisynthetic Derivatives of 7α-Acetoxy-6β-hydroxyroyleanone from Plectranthus sp.: An In Silico Approach.

Anticancer Effects of Abietane Diterpene 7α-Acetoxy-6β-hydroxyroyleanone from Plectranthus grandidentatus and Its Semi-Synthetic Analogs: An In Silico Computational Approach.

Dioxinodehydroeckol: A Potential Neuroprotective Marine Compound Identified by In Silico Screening for the Treatment and Management of Multiple Brain Disorders.