Search Result "PyRx virtual screening tool"

Research Article

Discovery of a “Cocktail” of Potential SARS-COV-2 Main Protease Inhibitors through Virtual Screening of Known Chemical Components of Vitex negundo L. (“Lagundi”)

Journal: Medicinal Chemistry
Volume: 18 Issue: 3 Year: 2022 Page: 364-381
Author(s): Ruel Cayona,Evelyn Creencia

General Research Article

Structure-based Virtual Screening, Molecular Docking, MolecularDynamics Simulation, and Metabolic Reactivity Studies ofQuinazoline Derivatives for their Anti-EGFR Activity AgainstTumor Angiogenesis

Journal: Current Medicinal Chemistry
Volume: 31 Issue: 5 Year: 2024 Page: 595-619
Author(s): Altaf Ahmad Shah,Manoj Kumar Yadav,Mohammad Amjad Kamal

Research Article

Screening of Anti-mycobacterial Phytochemical Compounds for Potential Inhibitors against Mycobacterium Tuberculosis Isocitrate Lyase

Journal: Current Topics in Medicinal Chemistry
Volume: 19 Issue: 8 Year: 2019 Page: 600-608
Author(s): Ashish Tiwari,Akhil Kumar,Gaurava Srivastava,Ashok Sharma

Research Article

Design of Multitarget Inhibitors as Tracheal Smooth Muscle Relaxants

Journal: Current Protein & Peptide Science
Volume: 24 Issue: 3 Year: 2023 Page: 257-266
Author(s): Neela M. Bhatia,Manish S. Bhatia,Sibaprasad K. Mohanty,Rishikesh S. Parulekar,Amruta V. Joshi,Snehal S. Ashtekar

Perspective Article

The Role of Justicia adhatoda as Prophylaxis for COVID-19 – AnalysisBased on Docking

Journal: Infectious Disorders - Drug Targets
Volume: 21 Issue: 8 Year: 2021 Page: 2-8
Author(s): Pugazhenthan Thangaraju,Sree Sudha TY,Praveen Kumar Pasala,Sri Hari TY,Sajitha Venkatesan,Eswaran Thangaraju

Review Article

Harnessing Computational Modeling for Efficient Drug Design Strategies

Journal: Letters in Organic Chemistry
Volume: 21 Issue: 6 Year: 2024 Page: 479-492
Author(s): Akhalesh Kumar Dube,Akhilesh Kumar Mishra

In Silico Designing and Screening of Antagonists against Cancer Drug Target XIAP

Journal: Current Cancer Drug Targets
Volume: 15 Issue: 9 Year: 2015 Page: 836-846
Author(s): Rahul Kumar,Jagat Singh Chauhan,Gajendra Pal Singh Raghava

Research Article

In Silico Screening and Molecular Dynamics Simulations againstTyrosine-protein Kinase Fyn Reveal Potential Novel TherapeuticCandidates for Bovine Papillomatosis

Journal: Current Medicinal Chemistry
Volume: 31 Issue: 37 Year: 2024 Page: 6172-6186
Author(s): Gerlane Salgueiro Barros,Débora Machado Barreto,Sandy Gabrielly Souza Cavalcanti,Tiago Branquinho Oliveira,Ricardo Pereira Rodrigues,Marcus Vinicius de Aragão Batista

In silico Analysis of Plasmodium falciparum Actin and Profilin Interaction at the Interface Region for Antimalarial Drug Designing

Journal: Letters in Drug Design & Discovery
Volume: 12 Issue: 8 Year: 2015 Page: 673-679
Author(s): Asrar Alam,Zahid Kamal,Atiya Fatima

Research Article

Design, Synthesis, and In Silico Studies of Novel N-(2-Aminophenyl)-2,3- Diphenylquinoxaline-6-Sulfonamide Derivatives Targeting Receptor- Binding Domain (RBD) of SARS-CoV-2 Spike Glycoprotein and their Evaluation as Antimicrobial and Antimalarial Agents

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 9 Year: 2021 Page: 915-931
Author(s): Falak A. Siddiqui,Sharuk L. Khan,Rajendra P. Marathe,Nitin V. Nema

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