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Jusanin, a New Flavonoid from Artemisia commutata with an In Silico Inhibitory Potential against the SARS-CoV-2 Main Protease
Jusanin, a New Flavonoid from Artemisia commutata with an In Silico Inhibitory Potential against the SARS-CoV-2 Main Protease
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Jusanin, a New Flavonoid from Artemisia commutata with an In Silico Inhibitory Potential against the SARS-CoV-2 Main Protease

Suleimen, Yerlan M ; Jose, Rani A ; Suleimen, Raigul N ; Arenz, Christoph ; Ishmuratova, Margarita Y ; Toppet, Suzanne ; Dehaen, Wim ; Alsfouk, Bshra A ; Elkaeed, Eslam B ; Eissa, Ibrahim H ; Metwaly, Ahmed M

Molecules (Basel, Switzerland), 2022-03, Vol.27 (5), p.1636 [Periódico revisado por pares]

Switzerland: MDPI AG

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2
Olive-Derived Triterpenes Suppress SARS COV-2 Main Protease: A Promising Scaffold for Future Therapeutics
Olive-Derived Triterpenes Suppress SARS COV-2 Main Protease: A Promising Scaffold for Future Therapeutics
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Olive-Derived Triterpenes Suppress SARS COV-2 Main Protease: A Promising Scaffold for Future Therapeutics

Alhadrami, Hani A ; Sayed, Ahmed M ; Sharif, Ahmed M ; Azhar, Esam I ; Rateb, Mostafa E

Molecules (Basel, Switzerland), 2021-05, Vol.26 (9), p.2654 [Periódico revisado por pares]

Switzerland: MDPI AG

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3
Exploration of Flavonoids as Lead Compounds against Ewing Sarcoma through Molecular Docking, Pharmacogenomics Analysis, and Molecular Dynamics Simulations
Exploration of Flavonoids as Lead Compounds against Ewing Sarcoma through Molecular Docking, Pharmacogenomics Analysis, and Molecular Dynamics Simulations
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Exploration of Flavonoids as Lead Compounds against Ewing Sarcoma through Molecular Docking, Pharmacogenomics Analysis, and Molecular Dynamics Simulations

Yasir, Muhammad ; Park, Jinyoung ; Han, Eun-Taek ; Park, Won Sun ; Han, Jin-Hee ; Kwon, Yong-Soo ; Lee, Hee-Jae ; Hassan, Mubashir ; Kloczkowski, Andrzej ; Chun, Wanjoo

Molecules (Basel, Switzerland), 2023-01, Vol.28 (1), p.414 [Periódico revisado por pares]

Switzerland: MDPI AG

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4
Pharmacophore-Based Virtual Screening and In-Silico Explorations of Biomolecules (Curcumin Derivatives) of Curcuma longa as Potential Lead Inhibitors of ERBB and VEGFR-2 for the Treatment of Colorectal Cancer
Pharmacophore-Based Virtual Screening and In-Silico Explorations of Biomolecules (Curcumin Derivatives) of Curcuma longa as Potential Lead Inhibitors of ERBB and VEGFR-2 for the Treatment of Colorectal Cancer
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Pharmacophore-Based Virtual Screening and In-Silico Explorations of Biomolecules (Curcumin Derivatives) of Curcuma longa as Potential Lead Inhibitors of ERBB and VEGFR-2 for the Treatment of Colorectal Cancer

Ejaz, Syeda Abida ; Aziz, Mubashir ; Fawzy Ramadan, Mohamed ; Fayyaz, Ammara ; Bilal, Muhammad Sajjad

Molecules (Basel, Switzerland), 2023-05, Vol.28 (10), p.4044 [Periódico revisado por pares]

Switzerland: MDPI AG

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5
Unveiling the Inhibitory Potentials of Peptidomimetic Azanitriles and Pyridyl Esters towards SARS-CoV-2 Main Protease: A Molecular Modelling Investigation
Unveiling the Inhibitory Potentials of Peptidomimetic Azanitriles and Pyridyl Esters towards SARS-CoV-2 Main Protease: A Molecular Modelling Investigation
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Unveiling the Inhibitory Potentials of Peptidomimetic Azanitriles and Pyridyl Esters towards SARS-CoV-2 Main Protease: A Molecular Modelling Investigation

Mushebenge, Aganze G ; Ugbaja, Samuel C ; Mtambo, Sphamandla E ; Ntombela, Thandokuhle ; Metu, Joy I ; Babayemi, Oludotun ; Chima, Joy I ; Appiah-Kubi, Patrick ; Odugbemi, Adeshina I ; Ntuli, Mthobisi L ; Khan, Rene ; Kumalo, Hezekiel M

Molecules (Basel, Switzerland), 2023-03, Vol.28 (6), p.2641 [Periódico revisado por pares]

Switzerland: MDPI AG

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6
Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations
Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations
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Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations

Zhang, Yi ; Zhang, Ting-Jian ; Tu, Shun ; Zhang, Zhen-Hao ; Meng, Fan-Hao

Molecules (Basel, Switzerland), 2020-09, Vol.25 (18), p.4094 [Periódico revisado por pares]

Switzerland: MDPI AG

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7
Inspection on the Mechanism of SARS-CoV-2 Inhibition by Penciclovir: A Molecular Dynamic Study
Inspection on the Mechanism of SARS-CoV-2 Inhibition by Penciclovir: A Molecular Dynamic Study
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Inspection on the Mechanism of SARS-CoV-2 Inhibition by Penciclovir: A Molecular Dynamic Study

Giannetti, Micaela ; Mazzuca, Claudia ; Ripani, Giorgio ; Palleschi, Antonio

Molecules (Basel, Switzerland), 2022-12, Vol.28 (1), p.191 [Periódico revisado por pares]

Switzerland: MDPI AG

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8
Deciphering the Role of Filamin B Calponin-Homology Domain in Causing the Larsen Syndrome, Boomerang Dysplasia, and Atelosteogenesis Type I Spectrum Disorders via a Computational Approach
Deciphering the Role of Filamin B Calponin-Homology Domain in Causing the Larsen Syndrome, Boomerang Dysplasia, and Atelosteogenesis Type I Spectrum Disorders via a Computational Approach
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Deciphering the Role of Filamin B Calponin-Homology Domain in Causing the Larsen Syndrome, Boomerang Dysplasia, and Atelosteogenesis Type I Spectrum Disorders via a Computational Approach

S, Udhaya Kumar ; Sankar, Srivarshini ; Younes, Salma ; D, Thirumal Kumar ; Ahmad, Muneera Naseer ; Okashah, Sarah Samer ; Kamaraj, Balu ; Al-Subaie, Abeer Mohammed ; C, George Priya Doss ; Zayed, Hatem

Molecules (Basel, Switzerland), 2020-11, Vol.25 (23), p.5543 [Periódico revisado por pares]

Switzerland: MDPI AG

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9
Exploring Aurone Derivatives as Potential Human Pancreatic Lipase Inhibitors through Molecular Docking and Molecular Dynamics Simulations
Exploring Aurone Derivatives as Potential Human Pancreatic Lipase Inhibitors through Molecular Docking and Molecular Dynamics Simulations
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Exploring Aurone Derivatives as Potential Human Pancreatic Lipase Inhibitors through Molecular Docking and Molecular Dynamics Simulations

Nguyen, Phuong Thuy Viet ; Huynh, Han Ai ; Truong, Dat Van ; Tran, Thanh-Dao ; Vo, Cam-Van Thi

Molecules (Basel, Switzerland), 2020-10, Vol.25 (20), p.4657 [Periódico revisado por pares]

Switzerland: MDPI AG

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10
Reactive Molecular Dynamics Simulation on Degradation of Tetracycline Antibiotics Treated by Cold Atmospheric Plasmas
Reactive Molecular Dynamics Simulation on Degradation of Tetracycline Antibiotics Treated by Cold Atmospheric Plasmas
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Reactive Molecular Dynamics Simulation on Degradation of Tetracycline Antibiotics Treated by Cold Atmospheric Plasmas

Guo, Jinsen ; Zhang, Yuantao

Molecules (Basel, Switzerland), 2023-05, Vol.28 (9), p.3850 [Periódico revisado por pares]

Switzerland: MDPI AG

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