In silico Screening of Phytochemicals as Potential Inhibitors of SARS-CoV-2 Mpro and Human ACE-2

In-Silico Screening of Ligand Based Pharmacophore, Database Mining and Molecular Docking on 2, 5-Diaminopyrimidines Azapurines as Potential Inhibitors of Glycogen Synthase Kinase-3β

Central Nervous System Agents in Medicinal Chemistry ◽

10.2174/1871524918666180530074116 ◽

2018 ◽

Vol 18 (2) ◽

pp. 150-158

Author(s):

Pooja Mishra ◽

Seema Kesar ◽

Sarvesh K. Paliwal ◽

Monika Chauhan ◽

Kirtika Madan

Keyword(s):

Molecular Docking ◽

In Silico ◽

Glycogen Synthase ◽

Glycogen Synthase Kinase ◽

Glycogen Synthase Kinase 3Β ◽

Database Mining ◽

In Silico Screening ◽

In-silico screening for identification of potential inhibitors against SARS-CoV-2 transmembrane serine protease 2 (TMPRSS2)

European Journal of Pharmaceutical Sciences ◽

10.1016/j.ejps.2021.105820 ◽

2021 ◽

pp. 105820

Author(s):

Sagar Barge ◽

Dhananjay Jade ◽

Gokul Gosavi ◽

Narayan Chandra Talukdar ◽

Jagat Borah

Keyword(s):

Serine Protease ◽

In Silico ◽

In Silico Screening ◽

Transmembrane Serine Protease ◽

Potential inhibitors of coronavirus 3-chymotrypsin-like protease (3CLpro): an in silico screening of alkaloids and terpenoids from African medicinal plants

10.1080/07391102.2020.1764868 ◽

2020 ◽

pp. 1-13 ◽

Cited By ~ 42

Author(s):

Gideon A. Gyebi ◽

Olalekan B. Ogunro ◽

Adegbenro P. Adegunloye ◽

Oludare M. Ogunyemi ◽

Saheed O. Afolabi

Keyword(s):

Medicinal Plants ◽

In Silico ◽

In Silico Screening ◽

Design, synthesis and in silico screening of benzoxazole–thiazolidinone hybrids as potential inhibitors of SARS-CoV-2 proteases

RSC Advances ◽

10.1039/d1ra07504g ◽

2021 ◽

Vol 11 (62) ◽

pp. 39328-39342

Author(s):

Vijay Sai Krishna Cheerala ◽

Prasanth Ghanta ◽

Sundaresan Chittor Neelakantan

Keyword(s):

In Silico ◽

In Silico Screening ◽

Design Synthesis ◽

Bioactive Scaffolds ◽

A novel combination of two bioactive scaffolds – benzoxazole and 4-thiazolidinone (B–T hybrids) as potential inhibitors of SARS-CoV-2.

In silico screening of chalcone derivatives as potential inhibitors of dihydrofolate reductase: Assessment using molecular docking, paired potential and molecular hydrophobic potential studies

Drug Invention Today ◽

10.1016/j.dit.2013.08.003 ◽

2013 ◽

Vol 5 (3) ◽

pp. 182-191 ◽

Cited By ~ 12

Author(s):

Dhanaji S. Gond ◽

Rohan J. Meshram ◽

Sharad G. Jadhav ◽

Gulshan Wadhwa ◽

Rajesh N. Gacche

Keyword(s):

Molecular Docking ◽

Dihydrofolate Reductase ◽

In Silico ◽

In Silico Screening ◽

Chalcone Derivatives ◽

In silico screening of hundred phytocompounds of ten medicinal plants as potential inhibitors of nucleocapsid phosphoprotein of COVID-19: an approach to prevent virus assembly

10.1080/07391102.2020.1804457 ◽

2020 ◽

pp. 1-18 ◽

Cited By ~ 1

Author(s):

Rajan Rolta ◽

Rohitash Yadav ◽

Deeksha Salaria ◽

Shubham Trivedi ◽

Mohammad Imran ◽

...

Keyword(s):

Medicinal Plants ◽

In Silico ◽

Virus Assembly ◽

In Silico Screening ◽

In Silico Screening of Natural Products as Potential Inhibitors of SARS-CoV-2 Using Molecular Docking Simulation

Chinese Journal of Integrative Medicine ◽

10.1007/s11655-021-3504-5 ◽

2021 ◽

Author(s):

Rajib Hossain ◽

Chandan Sarkar ◽

Shardar Mohammad Hafiz Hassan ◽

Rasel Ahmed Khan ◽

Mohammad Arman ◽

...

Keyword(s):

Natural Products ◽

Molecular Docking ◽

In Silico ◽

Docking Simulation ◽

In Silico Screening ◽

Molecular Docking Simulation ◽

In silico Screening of Flavones and its Derivatives as Potential Inhibitors of Quorum-Sensing Regulator LasR of Pseudomonas aeruginosa

Molecular Biology ◽

10.1134/s0026893320010021 ◽

2020 ◽

Vol 54 (1) ◽

pp. 134-143 ◽

Cited By ~ 1

Author(s):

N. Abelyan ◽

H. Grabski ◽

S. Tiratsuyan

Keyword(s):

Pseudomonas Aeruginosa ◽

Quorum Sensing ◽

In Silico ◽

In Silico Screening ◽

In silico screening of phytochemical compounds and FDA drugs as potential inhibitors for NSP16/10 5' methyl transferase activity

10.1080/07391102.2021.2005680 ◽

2021 ◽

pp. 1-13

Author(s):

Ashish Malik ◽

Mayank Kohli ◽

Neethu Anju Jacob ◽

Abhijit Kayal ◽

T. Kiran Raj ◽

...

Keyword(s):

In Silico ◽

Transferase Activity ◽

In Silico Screening ◽

Methyl Transferase ◽

Phytochemical Compounds ◽

In-silico screening and identification of phytochemicals from Centella asiatica as potential inhibitors of sodium-glucose co-transporter 2 for treating diabetes

10.1080/07391102.2021.1969282 ◽

2021 ◽

pp. 1-18

Author(s):

Mark Andrian B. Macalalad ◽

Arthur A. Gonzales

Keyword(s):

In Silico ◽

Centella Asiatica ◽

In Silico Screening ◽

Screening And Identification ◽