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/vufind/Search/Results?lookfor=%22Al-Hussain%2C+Sami+A%22&type=Person&filter%5B%5D=topic_facet%3A%22QSAR%22
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PubPharm (14)
1
QSAR modeling approaches to identify a novel ACE2 inhibitor that selectively bind with the C and N terminals of the ectodomain
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Jawarkar, R.
|
Zaki, M.
|
Al-Hussain, S.
| +7
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2
In silico study to recognize novel angiotensin-converting-enzyme-I inhibitors by 2D-QSAR and constraint-based molecular simulations
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Shah, S.
|
Chaple, D.
|
Masand, V.
| +6
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3
Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in-vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Jawarkar, R.
|
Zaki, M.
|
Al-Hussain, S.
| +8
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4
In-silico studies to recognize repurposing therapeutics toward arginase-I inhibitors as a potential onco-immunomodulators
enthalten in:
Frontiers in pharmacology
| 2023
von
Zaki, M.
|
Al-Hussain, S.
|
Al-Mutairi, A.
| +6
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5
Pharmacophore Synergism in Diverse Scaffold Clinches in Aurora Kinase B
enthalten in:
International journal of molecular sciences
| 2022
von
Masand, V.
|
Al-Hussain, S.
|
Rathore, M.
| +5
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6
QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads
enthalten in:
Molecules (Basel, Switzerland)
| 2022
von
Jawarkar, R.
|
Sharma, P.
|
Jain, N.
| +9
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7
QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA
enthalten in:
Molecules (Basel, Switzerland)
| 2022
von
Jawarkar, R.
|
Bakal, R.
|
Mukherjee, N.
| +7
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8
Mechanistic Analysis of Chemically Diverse Bromodomain-4 Inhibitors Using Balanced QSAR Analysis and Supported by X-ray Resolved Crystal Structures
enthalten in:
Pharmaceuticals (Basel, Switzerland)
| 2022
von
Zaki, M.
|
Al-Hussain, S.
|
Al-Mutairi, A.
| +3
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9
Exploring the Prominent and Concealed Inhibitory Features for Cytoplasmic Isoforms of Hsp90 Using QSAR Analysis
enthalten in:
Pharmaceuticals (Basel, Switzerland)
| 2022
von
Zaki, M.
|
Al-Hussain, S.
|
Bukhari, S.
| +4
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10
Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer's disease
enthalten in:
Frontiers in aging neuroscience
| 2022
von
Mukerjee, N.
|
Das, A.
|
Jawarkar, R.
| +20
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Thema: QSAR
Medienart
14
Aufsätze
14
E-Artikel
14
E-Ressourcen
Zeitschriftentitel
4
Molecules (Basel, Switzerland)
3
Journal of biomolecular structure & dynamics
3
Pharmaceuticals (Basel, Switzerland)
2
International journal of molecular sciences
1
Frontiers in aging neuroscience
1
Frontiers in pharmacology
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Thema
14
Journal Article
QSAR
7
molecular docking
5
MD simulation
3
MMGBSA
3
machine learning
2
Heterocyclic Compounds
2
N762921K75
2
Nitrogen
2
anticancer
2
pharmacophore modeling
2
pharmacophores
1
ALK tyrosine kinase inhibitors
1
Acyltransferases
1
Alzheimer’s disease
1
Anaplastic Lymphoma Kinase
1
Angiotensin converting enzyme-2
1
Angiotensin-Converting Enzyme 2
1
Angiotensin-Converting Enzyme Inhibitors
1
Angiotensins
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Erscheinungszeitraum
3
2024
1
2023
6
2022
4
2021
Erscheinungsjahr(e)
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14
Englisch
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