Other substances

Saquinavir

A peptidomimetic HIV protease inhibitor.

Phase of research

Potential treatment - theoretical effect

How it helps

Antiviral

Drug status

Used to treat other disease

Supporting references

Contradictory references

AI-suggested references

Clinical trials

General information

Saquinavir is a human immunodeficiency virus (HIV) protease inhibitor. It is used for treatment and prevention of HIV infection and the acquired immunodeficiency syndrome (AIDS) (LiverTox).

Saquinavir on DrugBank
Saquinavir on PubChem
Saquinavir on Wikipedia

Synonyms

Invirase

Marketed as

INVIRASE (SAQUINAVIR MESYLATE)

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

Supporting references

Link	Tested on	Impact factor	Notes	Publication date
Predicting commercially available antiviral drugs that may act on the novel coronavirus (2019-nCoV), Wuhan, China through a drug-target interaction deep learning model Preprint In silico	in silico			Feb/02/2020
Discovering drugs to treat coronavirus disease 2019 (COVID-19).	in silico			Feb/22/2020
Using Integrated Computational Approaches to Identify Safe and Rapid Treatment for SARS -CoV- 2	in silico		drug which can construct a covalent bond with Cys145 inside binding site SARS-CoV-2 main protease	May/04/2020
Systemic in Silico Screening in Drug Discovery for Coronavirus Disease (COVID-19) with an Online Interactive Web Server	in silico	4.55	Predicted to bind a SARS-CoV-2 protein structural feature.	Aug/11/2020
Quinolines-Based SARS-CoV-2 3CLpro and RdRp Inhibitors and Spike-RBD-ACE2 Inhibitor for Drug-Repurposing Against COVID-19: An in silico Analysis	in silico	4.24	Predicted to interact with the active site of SARS-CoV-2 3C-like protease.	Jul/23/2020
Virtual screening of approved clinic drugs with main protease (3CLpro) reveals potential inhibitory effects on SARS-CoV-2 3CLpro Small molecule In silico Screening	in silico	3.22	Predicted to inhibit the SARS-CoV-2 3C-like protease.	Sep/10/2020
Potential Treatment of Chinese and Western Medicine Targeting Nsp14 of SARS-CoV-2 nsp14 Small molecule In silico	in silico	2.67	Predicted to bind the SARS-CoV-2 nsp14 protein.	Sep/07/2020
In silico identification of drug candidates against COVID-19 3CLpro RdRpol	in silico	2.11	Predicted to inhibit the SARS-CoV-2 3C-like protease.	Oct/20/2020
Rational approach toward COVID-19 main protease inhibitors via molecular docking, molecular dynamics simulation and free energy calculation 3CLpro Small molecule In silico	in silico	4.00	Predicted to inhibit the SARS-CoV-2 3C-like protease.	Oct/19/2020
Identification of saquinavir as a potent inhibitor of dimeric SARS-CoV2 main protease through MM/GBSA 3CLpro Small molecule In silico	in silico	1.35	Predicted to inhibit the dimeric form of the SARS-CoV-2 3C-like protease.	Nov/12/2020

AI-suggested references

Link	Publication date
Strategic analyses to identify key structural features of antiviral/antimalarial compounds for their binding interactions with 3CLpro, PLpro and RdRp of SARS-CoV-2: in silico molecular docking and dynamic simulation studies.	Aug/25/2021
Molecular Docking and Virtual Screening Based Prediction of Drugs for COVID-19.	Aug/18/2020
Discovery of potent inhibitors for SARS-CoV-2's main protease by ligand-based/structure-based virtual screening, MD simulations, and binding energy calculations.	Mar/16/2021
Anti-HIV and anti-HCV small molecule protease inhibitors in-silico repurposing against SARS-CoV-2 Mpro for the treatment of COVID-19.	Sep/27/2021
Evaluation of the Binding Affinity of Anti-Viral Drugs against Main Protease of SARS-CoV-2 through a Molecular Docking Study.	Mar/01/2022
Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach.	Feb/20/2021
Identification of potential COVID-19 main protease inhibitors using structure-based pharmacophore approach, molecular docking and repurposing studies.	Aug/27/2021
Inhibition mechanism and hot-spot prediction of nine potential drugs for SARS-CoV-2 Mpro by large-scale molecular dynamic simulations combined with accurate binding free energy calculations.	Apr/26/2021
Evaluation of acridinedione analogs as potential SARS-CoV-2 main protease inhibitors and their comparison with repurposed anti-viral drugs	Oct/31/2020
Predicted antiviral drugs Darunavir, Amprenavir, Rimantadine and Saquinavir can potentially bind to neutralize SARS-CoV-2 conserved proteins.	Aug/04/2021
SARS-CoV-2 and SARS-CoV: Virtual screening of potential inhibitors targeting RNA-dependent RNA polymerase activity (NSP12)	Jul/09/2020
Transcriptome-based drug repositioning for coronavirus disease 2019 (COVID-19)	Nov/30/2021
A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease	Apr/12/2020
Drug binding dynamics of the dimeric SARS-CoV-2 main protease, determined by molecular dynamics simulation	Aug/03/2021
Targeting SARS-CoV-2 nonstructural protein 15 endoribonuclease: an in silico perspective	Jul/13/2021
Identification of potential Mpro inhibitors for the treatment of COVID-19 by using systematic virtual screening approach.	Jul/31/2020
Potential treatment with Chinese and Western medicine targeting NSP14 of SARS-CoV-2.	Sep/07/2020
Ligand-based quantitative structural assessments of SARS-CoV-2 3CLpro inhibitors: An analysis in light of structure-based multi-molecular modeling evidences	Aug/11/2020
Analysis of the efficacy of HIV protease inhibitors against SARS-CoV-2's main protease.	Nov/26/2020
Unrevealing sequence and structural features of novel coronavirus using in silico approaches: The main protease as molecular target	Mar/17/2020
Combined drug repurposing and virtual screening strategies with molecular dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro)	Jun/18/2020
Computational Evaluation of the Inhibition Efficacies of HIV Antivirals on SARS-CoV-2 (COVID-19) Protease and Identification of 3D Pharmacophore and Hit Compounds.	Sep/21/2020
A connectivity map-based drug repurposing study and integrative analysis of transcriptomic profiling of SARS-CoV-2 infection.	Oct/29/2020
Computational View toward the Inhibition of SARS-CoV-2 Spike Glycoprotein and the 3CL Protease	Apr/08/2022
Synthetic and medicinal perspective of quinolines as antiviral agents	Jan/24/2021
Repurposing existing drugs: identification of SARS-CoV-2 3C-like protease inhibitors	Jan/13/2021
Molecular modelling studies unveil potential binding sites on human serum albumin for selected experimental and in silico COVID-19 drug candidate molecules	Apr/19/2022
Repositioning of Ligands That Target the Spike Glycoprotein as Potential Drugs for SARS-CoV-2 in an In Silico Study	Nov/08/2021
Comparative molecular investigation of the potential inhibitors against SARS-CoV-2 main protease: a molecular docking study	Nov/13/2020
Interaction of Drug Candidates with Various SARS-CoV-2 Receptors: An in Silico Study to Combat COVID-19	Aug/11/2020
Antiviral drugs suppress infection of 2019-nCoV spike pseudotyped virus by interacting with ACE2 protein	Apr/01/2022

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