Molecular docking and pharmacology study to explore bio-active compounds and underlying mechanisms of Caesalpinia bonducella on polycystic ovarian syndrome

Hossain, Md. Sanower; Sharfaraz, Ashik; Hasan, Md. Imran; Somadder, Pratul Dipta; Haque, Md Akramul; Sarker, Md Rifat; Alam, Md Monjurul; Hasan, Ali Mohamod Wasaf; Sohel, Md. Abu Taher; Rahman, Habibur

doi:10.1016/j.imu.2022.101073

Cited by 3 publications

(2 citation statements)

References 77 publications

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“…In the control group, the average time taken by mice was 56.84 ± 4.31 sec to lick the capsaicin-injected paw whereas those that synthesize metabolites for medications that are useful or that contain compounds that are used for therapeutic purposes. [22] The increasing emphasis on natural alternatives originates from the adverse effects linked to commercially available pharmaceuticals, such as opioids and non-steroidal anti-inflammatory drugs (NSAIDs). [23] In a recent study, various solvent extracts from C. bonducella's leaf and stem bark were prepared and evaluated for their analgesic efficacy.…”

Section: Capsaicin-induced Painmentioning

confidence: 99%

Evaluating The Analgesic Activity of Leaf, Stem Bark Extract And Isolated Nutraceuticals of <i>Caesalpinia Bonducella L (Roxb.)</i>

B. J.,

M. B.,

et al. 2024

Int. J. Pharm. Sci. Drug Res.

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The objective of this study was to evaluate the analgesic potential of Caesalpinia bonducella L (Roxb.) by evaluating the efficacy of leaf and stem bark extracts and isolated nutraceuticals. Nutraceuticals were isolated via column chromatography and characterized using IR and NMR. Analgesic activities were assessed in vivo using the hot plate, capsaicin-induced pain, and tail flick tests on 36 albino mice across nine groups. Phytochemical screening revealed flavonoids and polyphenols. Pure nutraceuticals displayed superior analgesic properties compared to the control. Ethanol extracts of Caesalpinia bonducella leaf and bark exhibited higher analgesic efficacy than other extracts and the control (P<0.05). The study suggests the plant's potential in the nutraceutical field, highlighting its therapeutic value and positioning it as a valuable resource for India's nutraceutical sector.

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Section: Capsaicin-induced Painmentioning

confidence: 99%

Evaluating The Analgesic Activity of Leaf, Stem Bark Extract And Isolated Nutraceuticals of <i>Caesalpinia Bonducella L (Roxb.)</i>

B. J.,

M. B.,

et al. 2024

Int. J. Pharm. Sci. Drug Res.

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“…Using network pharmacological analysis, the modes of action of numerous drugs were evaluated. It has the potential to unveil the complex network connections among "ingredient-gene-target-disease" that aids in multi-dimensionally understanding the molecular basis of the diseases and predicting potential medication pharmacological mechanisms 4 .Nowadays, this technique is often be used for exploration of active ingredients of phyto-compounds from plants that have a wide range of medicinal uses 10 . Different networking's can be employed to discover novel genes or elucidate the fundamental genetic mechanisms underlying polycystic ovarian syndrome (PCOS) 10 .…”

Section: Introductionmentioning

confidence: 99%

Exploring Piperine as a Potential Treatment for Polycystic Ovarian Syndrome: Insights from In-silico Docking Studies

Francis,

Kalyanaraman,

Boominathan

et al. 2024

Preprint

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Polycystic Ovarian Syndrome (PCOS) is a multifaceted metabolic and hormonal condition that impacts women in their procreative ages, identified by ovarian dysfunction, hyperandrogenaemiaoverweight and insulin insensitivity.The piperine, an important alkaloid compound of black pepper has shown promise in modulating various physiological processes. In this work, employed computational docking studies to explore the potential of piperine as a treatment for PCOS. Utilizing computational methods, we analyzed the binding interactions between piperine and key molecular targets implicated in PCOS pathogenesis, including hyperandrogenism, and "oligomenorrhea. The network pharmacology analysis report found 988 PCOS-related genes, 108 hyperandrogenism-related genes, and 377 oligomenorrhea-related genes, and we finally shortlisted 5 common genes in PCOS, hyperandrogenism, and "oligomenorrhea": NR3C1, PPARG, FOS, CYP17A1, and H6PD. Our results reveal favorable binding affinities with PPARG (-8.34 Kcal/mol) and H6PD (-8.70 Kcal/mol) and interaction patterns, suggesting the potential of piperine to modulate these targets. Moreover, the reliabilityof the piperine-target interactions was revealed by molecular simulations studies. These findings support further experimental investigations to validate the therapeutic efficacy of piperine in PCOS management. The integration of computational approaches withexperimental studies has the potential to lay the groundwork for the creation of new therapies specifically targeting PCOS and related endocrine disorders.

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CXC chemokines influence immune surveillance in immunological disorders: Polycystic ovary syndrome and endometriosis

Ullah

Wang

et al. 2023

Biochimica et Biophysica Acta (BBA) - Molecular Basis of Diseas

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Molecular docking and pharmacology study to explore bio-active compounds and underlying mechanisms of Caesalpinia bonducella on polycystic ovarian syndrome

Cited by 3 publications

References 77 publications

Evaluating The Analgesic Activity of Leaf, Stem Bark Extract And Isolated Nutraceuticals of <i>Caesalpinia Bonducella L (Roxb.)</i>

Evaluating The Analgesic Activity of Leaf, Stem Bark Extract And Isolated Nutraceuticals of <i>Caesalpinia Bonducella L (Roxb.)</i>

Exploring Piperine as a Potential Treatment for Polycystic Ovarian Syndrome: Insights from In-silico Docking Studies

CXC chemokines influence immune surveillance in immunological disorders: Polycystic ovary syndrome and endometriosis

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