Cover Image

In Silico SAR Studies of HIV-1 Inhibitors

Quantitative Structure Activity Relationships (QSAR or SAR) have helped scientists to establish mathematical relationships between molecular structures and their biological activities. In the present article, SAR studies have been carried out on 89 tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine (TIB...

Full description

Saved in:

Bibliographic Details
Main Authors:	Ismail Hdoufane (Author), Imane Bjij (Author), Mahmoud Soliman (Author), Alia Tadjer (Author), Didier Villemin (Author), Jane Bogdanov (Author), Driss Cherqaoui (Author)
Format:	Book
Published:	MDPI AG, 2018-07-01T00:00:00Z.
Subjects:	article
Online Access:	Connect to this object online.
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations
by: Mehdi Oubahmane, et al.
Published: (2023)

Hybrid Molecules as Potential Drugs for the Treatment of HIV: Design and Applications
by: Wissal Liman, et al.
Published: (2022)

In silico phytochemicals analysis as inhibitors of the SARS-COV-2 main protease
by: Ekaterina Serikova, et al.
Published: (2022)

Plant Metabolites as SARS-CoV-2 Inhibitors Candidates: In Silico and In Vitro Studies
by: Alberto Jorge Oliveira Lopes, et al.
Published: (2022)

Design, Synthesis, Molecular Modeling and Biological Evaluation of Novel Pyrazole Benzimidazolone Derivatives as Potent Antioxidants
by: Mohamed Adardour, et al.
Published: (2023)

In silico investigation of HCV and RNA synthesis inhibitor antibiotic drugs as potential inhibitors of SARS‑CoV‑2 main protease (Mpro)
by: Merusomayajula V. Kishore, et al.
Published: (2024)

Flavonoids as tyrosinase inhibitors in in silico and in vitro models: basic framework of SAR using a statistical modelling approach
by: Katarzyna Jakimiuk, et al.
Published: (2022)

Design, in silico and pharmacological evaluation of a peptide inhibitor of BACE-1
by: Renata Boldin, et al.
Published: (2023)

Strawberry and Ginger Silver Nanoparticles as Potential Inhibitors for SARS-CoV-2 Assisted by In Silico Modeling and Metabolic Profiling
by: Mohammad M. Al-Sanea, et al.
Published: (2021)

In Silico Study for Similar FDA Approved Drugs as Inhibitors of SARS-CoV-2 Spike and the Host Receptor Proteins
by: Israa Mohamed Shamkh, et al.
Published: (2021)

Ligand-Based and Structured-Based In Silico Repurposing Approaches to Predict Inhibitors of SARS-CoV-2 Mpro Protein
by: Alfredo Juárez-Saldívar, et al.
Published: (2020)

Phytoconstituents from ten natural herbs as potent inhibitors of main protease enzyme of SARS-COV-2: In silico study
by: Nitish Kumar, et al.
Published: (2021)

An In Silico Study Based on QSAR and Molecular Docking and Molecular Dynamics Simulation for the Discovery of Novel Potent Inhibitor against AChE
by: Meriem Khedraoui, et al.
Published: (2024)

In Silico Comparison of Separate or Combinatorial Effects of Po-tential Inhibitors of the SARS-CoV-2 Binding Site of ACE2
by: Mostafa Shakhsi-Niaei, et al.
Published: (2021)

Comment on "In Silico Comparison of Separate or Combinatorial Effects of Potential Inhibitors of the SARS-CoV-2 Binding Site of ACE2"
by: Reza Gharebaghi, et al.
Published: (2022)

Shaping the Future of Obesity Treatment: In Silico Multi-Modeling of IP6K1 Inhibitors for Obesity and Metabolic Dysfunction
by: Ismail Mondal, et al.
Published: (2024)

In silico identification of novel SARS-COV-2 2'-O-methyltransferase (nsp16) inhibitors: structure-based virtual screening, molecular dynamics simulation and MM-PBSA approaches
by: Mahmoud A. El Hassab, et al.
Published: (2021)

Anilino-1,4-naphthoquinones as potent mushroom tyrosinase inhibitors: in vitro and in silico studies
by: Sahachai Sabuakham, et al.
Published: (2024)

Response Comment on "In Silico Comparison of Separate or Combinatorial Effects of Potential Inhibitors of the SARS-CoV-2 Binding Site of ACE2"
by: Mostafa Shakhsi-Niaei, et al.
Published: (2022)

In silico screening of potential compounds from begonia genus as 3CL protease (3Cl pro) SARS-CoV-2 inhibitors
by: Saipul Maulana, et al.
Published: (2023)

In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing
by: Yogesh Kumar, et al.
Published: (2020)

Flavonoid compounds of buah merah (Pandanus conoideus Lamk) as a potent SARS-CoV-2 main protease inhibitor: in silico approach
by: Abd. Kakhar Umar
Published: (2021)

In Silico Prediction of Novel Inhibitors of SARS-CoV-2 Main Protease through Structure-Based Virtual Screening and Molecular Dynamic Simulation
by: Sobia Ahsan Halim, et al.
Published: (2021)

L'accompagnement : un élément clé pour l'apprentissage en stage et pour le développement professionnel continu des enseignants
by: Marc Boutet, et al.

Predicting AAK1/GAK dual-target inhibitor against SARS-CoV-2 viral entry into host cells: an in silico approach / Xavier Chee Wezen ...[et.al.]
by: Wezen, Xavier Chee, et al.
Published: (2021)

In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR
by: Gopal Pawar, et al.
Published: (2019)

Lactoferrin Against SARS-CoV-2: In Vitro and In Silico Evidences
by: Elena Campione, et al.
Published: (2021)

Pemodelan Molekul Turunan p-Metoksi sinnamoil Hidrazida Sebagai Inhibitor Checkpoint Kinase 1 dan Inhibitor Aromatase secara In silico
by: Galih Satrio Putra, et al.
Published: (2017)

Bioactive compounds screening of Rafflesia sp. and Sapria sp. (Family: Rafflesiaceae) as anti-SARS-CoV-2 via tetra inhibitors: An in silico research
by: Nur Sofiatul Aini, et al.
Published: (2023)

Aminoglycosides as potential inhibitors of SARS-CoV-2 main protease: an in silico drug repurposing study on FDA-approved antiviral and anti-infection agents
by: Mohammad Z. Ahmed, et al.
Published: (2021)

In silico molecular mechanism of cannabigerol as a cyclooxygenase-2 inhibitor
by: Muhammad Abdullah Shah, et al.
Published: (2013)

Discovery of potential cyclooxygenase inhibitors using in silico docking studies
by: Arumugam Madeswaran, et al.
Published: (2012)

Identification of novel bacterial DNA gyrase inhibitors: An in silico study
by: Hamzeh Rahimi, et al.
Published: (2016)

Non-<i>β</i>-Lactam Allosteric Inhibitors Target Methicillin-Resistant <i>Staphylococcus aureus</i>: An <i>In Silico</i> Drug Discovery Study
by: Mahmoud A. A. Ibrahim, et al.
Published: (2021)

Phytochemical identification and in silico study of ethanolic extract of white cabbage as a phosphodiesterase 1B inhibitor
by: Nazir Ahmad, et al.
Published: (2023)

In silico analysis approach for screening new agents for breast cancer inhibitors based on 1,5-benzothiazepine
by: Neni Frimayanti, et al.
Published: (2022)

New N-Alkylated Heterocyclic Compounds as Prospective NDM1 Inhibitors: Investigation of In Vitro and In Silico Properties
by: Yassine Kaddouri, et al.
Published: (2022)

Comparative In-Silico Molecular Docking of Silymarin for SARS-CoV-2 Receptor
by: Michael Antony Samy Amutha Gnana Arasi, et al.
Published: (2022)

Pharmacophore-Based Study: An In Silico Perspective for the Identification of Potential New Delhi Metallo-β-lactamase-1 (NDM-1) Inhibitors
by: Heba Ahmed Alkhatabi, et al.
Published: (2024)

Activity of propolis compounds as potential MMP1 and MMP2 inhibitors by in silico studies in wound healing application
by: Adzani Gaisani Arda, et al.
Published: (2024)