Search

Theoretical and Computational Chemistry

Working Paper

Battle Against Coronavirus: Repurposing Old Friends (Food Borne Polyphenols) for New Enemy (COVID-19)

sonam bhatia, Sabeena Giri, Arnica F Lal, Shaminder Singh

Version 1 posted 13 April 2020

1,532

Downloads

2

Citations

Biological and Medicinal Chemistry

Working Paper

Binding Mechanism and Structural Insights into the Identified Protein Target of Covid-19 with In-Vitro Effective Drug Ivermectin

Parth Sarthi Sen Gupta, Satyaranjan Biswal, Saroj Kumar Panda, Abhik Kumar Ray, Malay Kumar Rana

Version 1 posted 12 June 2020

832

Downloads

1

Citations

Biological and Medicinal Chemistry

Working Paper

Identification of Putative Plant Based Antiviral Compounds to Fight Against SARS-CoV-2 Infection

Sujit Kumar Mishra, Rajguru Rajesh Raman Mishra, Saumya Dash, Jogeswar Panigrahi

Version 2 posted 15 July 2020

841

Downloads

1

Citations

Biological and Medicinal Chemistry

Working Paper

Potential Phytopharmaceutical Constituents of Solanum Trilobatum L. as Significant Inhibitors Against COVID-19: Robust-Binding Mode of Inhibition by Molecular Docking, PASS-Aid Bioactivity and ADMET Investigations

Shanmugam Anandakumar, Damodharan Kannan, Eugene Wilson, Kasthuri Bai Narayanan, Ganesan Suresh, Kadarkarai Kanakavalli, Muthu Tamizh Manoharan

Version 2 posted 12 August 2020

1,376

Downloads

1

Citations

Biological and Medicinal Chemistry

Working Paper

Repurposing Simeprevir, Calpain Inhibitor IV and a Cathepsin F Inhibitor Against SARS-CoV-2: A Study Using in Silico Pharmacophore Modeling and Docking Methods

Abhithaj J, Dileep Francis, Sharanya C.S, arun kumar, Sadasivan C, Jayadevi Variyar

Version 1 posted 18 May 2020

900

Downloads

Theoretical and Computational Chemistry

Working Paper

Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike Receptor-Binding Domain Bound with ACE2 COVID19 Target Proteins: A Virtual Drug Repurposing Study

Serdar Durdagi, Busecan Aksoydan, Berna Dogan, Kader Sahin, Aida Shahraki, Necla Birgül-İyison

Version 2 posted 27 April 2020

3,403

Downloads

12

Citations

Theoretical and Computational Chemistry

Working Paper

Accelerated Molecular Dynamics for Structural Prediction in Protein/Peptide Binding: The SLICE Method

James McFarlane, Katherine Krause, Irina Paci

Version 1 posted 20 June 2019

665

Downloads

1

Citations

Biological and Medicinal Chemistry

Working Paper

Screening and Druggability Analysis of Some Plant Metabolites Against SARS-CoV-2

Kazi Faizul Azim, Sheikh Rashel Ahmed, Anik Banik, Md. Mostafigur Rahman Khan, Anamika Deb

Version 1 posted 05 May 2020

961

Downloads

Theoretical and Computational Chemistry

Working Paper

Development of a Protein-Ligand Extended Connectivity (PLEC) Fingerprint and Its Application for Binding Affinity Predictions.

Maciej Wójcikowski, Michał Kukiełka, Marta Stepniewska-Dziubinska, Pawel Siedlecki

Version 1 posted 28 February 2018

843

Downloads

Biological and Medicinal Chemistry

Working Paper

AMPA GluA2 subunit competitive inhibitors for PICK1 PDZ domain: Pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation, and ADME studies

Shravan B. Rathod, Pravin B. Prajapati, Ranjan Pal, Mohmedyasin F. Mansuri

Version 3 posted 12 October 2021

846

Downloads

Refine Search

120 results in molecular docking in Keywords: molecular docking

Battle Against Coronavirus: Repurposing Old Friends (Food Borne Polyphenols) for New Enemy (COVID-19)

Binding Mechanism and Structural Insights into the Identified Protein Target of Covid-19 with In-Vitro Effective Drug Ivermectin

Identification of Putative Plant Based Antiviral Compounds to Fight Against SARS-CoV-2 Infection

Potential Phytopharmaceutical Constituents of Solanum Trilobatum L. as Significant Inhibitors Against COVID-19: Robust-Binding Mode of Inhibition by Molecular Docking, PASS-Aid Bioactivity and ADMET Investigations

Repurposing Simeprevir, Calpain Inhibitor IV and a Cathepsin F Inhibitor Against SARS-CoV-2: A Study Using in Silico Pharmacophore Modeling and Docking Methods

Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike Receptor-Binding Domain Bound with ACE2 COVID19 Target Proteins: A Virtual Drug Repurposing Study

Accelerated Molecular Dynamics for Structural Prediction in Protein/Peptide Binding: The SLICE Method

Screening and Druggability Analysis of Some Plant Metabolites Against SARS-CoV-2

Development of a Protein-Ligand Extended Connectivity (PLEC) Fingerprint and Its Application for Binding Affinity Predictions.

AMPA GluA2 subunit competitive inhibitors for PICK1 PDZ domain: Pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation, and ADME studies

120 results in Keywords: molecular docking