An Experimental and Computational Analysis of Plant Compounds from Whole Urtica dioica L. Plant's Essential Oil for Antioxidant and Antibacterial Activities

Article Medicine, General & Internal

The Therapeutic Application of Tamarix aphylla Extract Loaded Nanoemulsion Cream for Acid-Burn Wound Healing and Skin Regeneration

Haiwad Gul et al.

Summary: A nanoemulsion cream containing Tamarix aphylla extract showed great potential in healing acid-burn wounds. It had a shorter healing time compared to other treatment groups and improved the condition of burnt skin.

MEDICINA-LITHUANIA (2023)

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Article Biology

Computational modelling of potentially emerging SARS-CoV-2 spike protein RBDs mutations with higher binding affinity towards ACE2: A structural modelling study

Abbas Khan et al.

Summary: This study focuses on the importance of the spike protein of SARS-CoV-2 and the host ACE2 receptor in cell entry, especially on the structural variants of the hotspot residue 501, the impact of mutations on binding affinity, and the potential consequences. Results suggest that the N501I, N501T, and N501V variants may worsen the situation, raising questions about the relationship between viral fitness and binding affinity.

COMPUTERS IN BIOLOGY AND MEDICINE (2022)

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Article Biochemistry & Molecular Biology

Cordycepin as a Promising Inhibitor of SARS-CoV-2 RNA dependent RNA polymerase (RdRp)

Shabana Bibi et al.

Summary: This study proposed a drug-repositioning pipeline for the design and discovery of an effective fungal-derived bioactive metabolite as a drug candidate against SARS-CoV-2. The results showed that cordycepin exhibited strong inhibitory potential against the SARSCoV-2 polymerase enzyme (RdRp). Further laboratory testing is recommended.

CURRENT MEDICINAL CHEMISTRY (2022)

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Article Chemistry, Physical

Anti-diabetic potential, crystal structure, molecular docking, DFT, and optical-electrochemical studies of new dimethyl and diethyl carbamoyl-N, N′-disubstituted based thioureas

Mehmand Khan et al.

Summary: Four new thiourea derivatives were synthesized using multicomponent methodology. Among them, compound DM3A showed significant inhibitory activity against alpha-amylase and alpha-glucosidase. It also exhibited excellent antioxidant potential and negligible hemolytic activity.

JOURNAL OF MOLECULAR STRUCTURE (2022)

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Article Chemistry, Medicinal

Molecular Docking Studies Reveal Rhein from rhubarb (Rheum rhabarbarum) as a Putative Inhibitor of ATP-binding Cassette Super-family G member 2

Muhammad Saad Khan et al.

Summary: The study utilized pharmacophore-based screening and molecular docking methods to identify a potential lead compound as an inhibitor of ATP-binding cassette Super-family G member 2. These natural compounds may help reverse multidrug resistance and increase the effectiveness of chemotherapy in cancer treatment.

MEDICINAL CHEMISTRY (2021)

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Article Biochemistry & Molecular Biology

In Silico Evaluation of Food Derived Bioactive Peptides as Inhibitors of Angiotensin Converting Enzyme (ACE)

Qudsia Yousafi et al.

Summary: Hypertension is a major risk factor for cardiovascular diseases and stroke, leading to premature deaths. The study focused on identifying potent ACE inhibitory food peptides using bioinformatics techniques, revealing new antihypertensive peptides with competitive ACE inhibitory activity and structural stability. Among them, ACE-LQPGS (from salmon) showed the best binding affinity and least structural fluctuations.

INTERNATIONAL JOURNAL OF PEPTIDE RESEARCH AND THERAPEUTICS (2021)

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Article Endocrinology & Metabolism

Antiparkinsonian activity of Cucurbita pepo seeds along with possible underlying mechanism

Uzma Saleem et al.

Summary: The study demonstrated that methanolic extract of Cucurbita pepo seeds could improve motor function in a Parkinson rat model by regulating biochemical indicators and molecular pathways, suggesting its potential as a candidate drug for the treatment of Parkinson's disease.

METABOLIC BRAIN DISEASE (2021)

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Article Biochemistry & Molecular Biology

Anti-Parkinson's evaluation of Brassica juncea leaf extract and underlying mechanism of its phytochemicals

Uzma Saleem et al.

Summary: The study demonstrated that the extract of B. juncea leaves improved muscle strength, motor coordination, and balance in PD rats, along with enhancing endogenous antioxidant defense and increasing dopamine levels while decreasing MAO-B levels in the brain. Molecular docking analysis of proposed phytochemicals suggested potential therapeutic compounds for PD treatment.

FRONTIERS IN BIOSCIENCE-LANDMARK (2021)

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Article Plant Sciences