Artificial intelligence, big data and machine learning approaches in precision medicine & drug discovery
A Nayarisseri, R Khandelwal, P Tanwar… - Current drug …, 2021 - ingentaconnect.com
Artificial Intelligence revolutionizes the drug development process that can quickly identify
potential biologically active compounds from millions of candidate within a short period. The …
potential biologically active compounds from millions of candidate within a short period. The …
Current strategies in assessment of nanotoxicity: alternatives to in vivo animal testing
Millions of experimental animals are widely used in the assessment of toxicological or
biological effects of manufactured nanomaterials in medical technology. However, the …
biological effects of manufactured nanomaterials in medical technology. However, the …
Development of novel monoamine oxidase B (MAO-B) inhibitors by combined application of docking-based alignment, 3D-QSAR, ADMET prediction, molecular …
A El Aissouq, O Chedadi, M Bouachrine… - Journal of …, 2023 - Taylor & Francis
Unsaturated ketone derivatives are known as inhibitors of monoamine oxidase B (MAO-B), a
potential drug target of Parkinson's disease. Here, docking-based alignment, 3 D-QSAR …
potential drug target of Parkinson's disease. Here, docking-based alignment, 3 D-QSAR …
In silico design of novel Pyrazole derivatives containing thiourea skeleton as anti-cancer agents using: 3D QSAR, Drug-Likeness studies, ADMET prediction and …
L El Mchichi, A El Aissouq, R Kasmi… - Materials Today …, 2021 - Elsevier
A forty-two compounds series of potential epidermal growth factor receptor kinase inhibitors
of Pyrazole derivatives containing thiourea analogs have been subjected to 3D-QSAR (3 …
of Pyrazole derivatives containing thiourea analogs have been subjected to 3D-QSAR (3 …
Identification of Novel SARS‐CoV‐2 Inhibitors: A Structure‐Based Virtual Screening Approach
A El Aissouq, O Chedadi, M Bouachrine… - Journal of …, 2021 - Wiley Online Library
The recent outbreak of the coronavirus disease 2019 (COVID‐19) caused by SARS‐CoV‐2
(severe acute respiratory syndrome coronavirus 2) in the last few months raised global …
(severe acute respiratory syndrome coronavirus 2) in the last few months raised global …
2D-QSAR and docking study of a series of coumarin derivatives as inhibitors of CDK (anticancer activity) with an application of the molecular docking method
R Kasmi, E Hadaji, O Chedadi, A El Aissouq… - Heliyon, 2020 - cell.com
Abstract Quantitative Structure Activity Relationship (QSAR) analysis techniques are tools
largely utilized in many research fields, including drug discovery processes. In this work …
largely utilized in many research fields, including drug discovery processes. In this work …
3D-QSAR modeling and molecular docking studies on a series of 2, 4, 5-trisubstituted imidazole derivatives as CK2 inhibitors
A Goudzal, A El Aissouq, H El Hamdani… - Journal of …, 2023 - Taylor & Francis
Protein case in kinase II alpha subunit (CK2) plays an imperative function in treating cancer
disease. Herein, we have performed a three-dimensional quantitative structure activity …
disease. Herein, we have performed a three-dimensional quantitative structure activity …
Pea eggplant (Solanum torvum Swartz) is a source of plant food polyphenols with SARS-CoV inhibiting potential
N Govender, NS Zulkifli, NFB Hisham, NS Ab Ghani… - PeerJ, 2022 - peerj.com
Background Pea eggplant (Solanum torvum Swartz) commonly known as turkey berry or
'terung pipit'in Malay is a vegetable plant widely consumed by the local community in …
'terung pipit'in Malay is a vegetable plant widely consumed by the local community in …
Computational investigation of unsaturated ketone derivatives as MAO-B inhibitors by using QSAR, ADME/Tox, molecular docking, and molecular dynamics …
AEL AISSOUQ, M Bouachrine… - Turkish Journal of …, 2022 - journals.tubitak.gov.tr
Unsaturated ketone derivatives are known as monoamine oxidase B (MAO-B) inhibitors, a
potential drug target for Parkinson? s disease. Here, molecular modeling studies, including …
potential drug target for Parkinson? s disease. Here, molecular modeling studies, including …
Chemo-informatics applications in the design of novel 7-keto-sempervirol derivatives as SmCB1 inhibitors with potential for treatment of Schistosomiasis
The quest for a sound treatment on the vulnerable population suffering and dying as a result
of the blood flukes, S. mansoni is on the increase because both Praziquantel and …
of the blood flukes, S. mansoni is on the increase because both Praziquantel and …