Search Result "PyRx virtual screening tool"
Discovery of a âCocktailâ of Potential SARS-COV-2 Main Protease Inhibitors through Virtual Screening of Known Chemical Components of Vitex negundo L. (âLagundiâ)
Journal: Medicinal Chemistry
Volume: 18 Issue: 3 Year: 2022 Page: 364-381
Author(s): Ruel Cayona,Evelyn Creencia
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
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
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
The Role of Justicia adhatoda as Prophylaxis for COVID-19 â 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
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
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
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