Sciences of Phytochemistry Archives (Volume 1 Issue 1)

Dhunusmita Barman, Nikita Dey, Srijani Sen, Bibhuti B. Kakoti, Catherine Vanlalhriatpuii. Neuromodulatory effect of plant metabolites. Sciences of Phytochemistry. 2022; 1(1):47-69.

Abstract: Neurological disorders (NDDs) are diseases that affect the central and peripheral nervous systems. Gradual malfunction and destruction of the neurons or the nerve cells characterize them. Every year, NDDs affect millions of people worldwide. Over the years, several neuromodulatory techniques have be Show more...

Abstract: Neurological disorders (NDDs) are diseases that affect the central and peripheral nervous systems. Gradual malfunction and destruction of the neurons or the nerve cells characterize them. Every year, NDDs affect millions of people worldwide. Over the years, several neuromodulatory techniques have been introduced to improve the quality of life for those affected by NDDs. NDDs are chronic and incurable conditions, however, bioactive substances derived from medicinal plants have emerged as the greatest choice for their prevention and treatment. Literature evidences several benefits of plant metabolites as alternative medicines for the prevention and treatment of NDDs. Numerous investigations have shown plant metabolites to possess beneficial biological effects because of their qualities, which include but are not limited to anti-inflammatory, antioxidant, and neuroprotective actions. Practices of folk medicine and several studies have also guided many phytopharmacological interventions toward the treatment of NDDs. This review aims to highlight secondary metabolites (alkaloids, flavonoids, steroids, terpenoids) of plants with neuroprotective action that could potentially play an important role in the prevention and management of NDDs. Show less...

Neurons Neuromodulation Neuroprotection Neurodegeneration Phytocompounds

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Himangshu Sarma, Jon Jyoti Sahariah, Rajlakhsmi Devi, Hemanta Kumar Sharma. Challenges and opportunities in the management of cardiovascular diseases. Sciences of Phytochemistry. 2022; 1(1):42-46.

Abstract: In the 21st century, cardiovascular diseases (CVDs) constitute the leading cause of death. It is difficult for potential CVD therapies to be successful since CVDs cannot be effectively or cheaply treated with existing therapy. To formulate and transport therapeutically active molecules to treat a va Show more...

Abstract: In the 21st century, cardiovascular diseases (CVDs) constitute the leading cause of death. It is difficult for potential CVD therapies to be successful since CVDs cannot be effectively or cheaply treated with existing therapy. To formulate and transport therapeutically active molecules to treat a variety of ailments, innovative drug delivery carrier systems have emerged as an efficient method. Their applications have a potential role in routine drug discovery. Heart failure has been studied using a variety of novel treatment approaches, such as cell transplantation, gene transfer or therapy, cytokines, or other small molecules. This review briefly highlights key points in the management of CVDs. Show less...

Cardiovascular diseases Drug discovery Hypertension Drug delivery In-silico

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Lima Patowary, Malita Sarma Borthakur. Computational studies of Bridelia retusa phytochemicals for the identification of promising molecules with inhibitory potential against the spike protein and papain-like protease of SARS-CoV-2. Sciences of Phytochemistry. 2022; 1(1):29-41.

Abstract: SARS-CoV-2 is the pathogen responsible for the on-going COVID-19 pandemic. The two proteins namely, spike protein and papain-like protease are mainly responsible for the penetration and transmission of the virus, respectively. The objective of our study was to find the most promising phytoconstituen Show more...

Abstract: SARS-CoV-2 is the pathogen responsible for the on-going COVID-19 pandemic. The two proteins namely, spike protein and papain-like protease are mainly responsible for the penetration and transmission of the virus, respectively. The objective of our study was to find the most promising phytoconstituents of Bridelia retusa that can inhibit both the proteins. Molecular docking, protein-ligand interactions, and molecular dynamics (MD) simulation techniques were used in the study. Bepridil and the co-crystal inhibitors of each protein were used as the standards. All the 14 phytoconstituents along with the standard drug and the co-crystal inhibitor of each protein were subjected to molecular docking. Ten compounds showed better binding affinities than the standards against the spike protein and 7 compounds have shown better binding affinities than the standards against papain-like protease protein. From the protein-ligand interactions, a total of 3 out of 10 for the spike protein and 5 out of 7 for the papain-like protease showed better interactions than the standards. An all-atom MD simulations study revealed that (R)4-(1,5-dimethyl-3-oxo-4-hexenyl)-benzoic acid formed the most stable complex with both proteins. The in-silico study provides an evidence for (R)4-(1,5-dimethyl-3-oxo-4-hexenyl)-benzoic acid as a promising inhibitor of the spike and papain-like protease of SARS-CoV-2. Further investigations such as in-vitro/in-vivo studies are recommended to validate the potency of (R)4-(1,5-dimethyl-3-oxo-4-hexenyl)-benzoic acid. Show less...

SARS-CoV-2 Spike protein Papain-like protease protein Molecular docking (R)4-(1,5-dimethyl-3-oxo-4-hexenyl)-benzoic acid

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Igbokwe Mariagoretti Chikodili, Ibe Ifeoma Chioma, Nnorom Miriam Chinwendu, Ejiofor InnocentMary IfedibaluChukwu. In-silico study for African plants with possible beta-cell regeneration effect through inhibition of DYRK1A. Sciences of Phytochemistry. 2022; 1(1):13-28.

Abstract: The continuous destruction of normal insulin-producing pancreatic beta-cells is a contributing factor in all common forms of diabetes, due to insufficient production of insulin, especially in type 1 diabetes. There are attempts at beta-cells transplantation, but the cost and availability of donors p Show more...

Abstract: The continuous destruction of normal insulin-producing pancreatic beta-cells is a contributing factor in all common forms of diabetes, due to insufficient production of insulin, especially in type 1 diabetes. There are attempts at beta-cells transplantation, but the cost and availability of donors pose a great challenge to the process. Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) plays a crucial role in beta-cells destruction. Our research targets to identify plants that can be utilized as a possible alternative approach to beta-cell replacement through a pharmacologically induced regeneration of new beta-cells in-silico. The 3D structure DYRK1A and 6511 phytochemicals were obtained from the Protein Data Bank and the African Natural Products Database respectively. They were duly prepared for molecular docking simulations (MDS). MDS was implemented, after validation of docking protocols, in AutoDock-Vina®, with virtual screening scripts. Phytocompounds with good binding affinities for DYRK1A were selected as frontrunners. The compounds were screened for toxicity, Lipinski’s rule confirmation with Data Warrior software followed by kinase inhibitory bioactivity prediction with the Molinspiration Chemoinformatics web tool. Twelve phytocompounds were found to be predictably highly active in-silico against DYRK1A with good drug-like property based on Lipinski’s rule, non-mutagenic, non-tumorigenic, no reproductive effect, and non-irritant, with high predicted bioactivity. In-silico active phytocompounds against DYRK1A with their plant sources and physicochemical parameters were identified. Further studies will be carried out in-vitro and in-vivo to validate the results of this study using plants containing the identified phytocompounds. Show less...

Beta-cells Regeneration Phytocompounds DYRK1A Virtual screening Diabetes

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Farida Pegu. Pharmacological activities of bioactive compounds isolated from Acacia pennata (L) Willd.: A comprehensive update and application of in-silico techniques for repurposing. Sciences of Phytochemistry. 2022; 1(1):1-12.

Abstract: Bioactive compounds (BACs) are naturally occurring compounds with pharmacological activities. BACs isolated from plants have significantly contributed to modern medicine. Multiple studies had reported the isolation of BACs with diverse pharmacological activities from Acacia pennata (L.) Willd. This Show more...

Abstract: Bioactive compounds (BACs) are naturally occurring compounds with pharmacological activities. BACs isolated from plants have significantly contributed to modern medicine. Multiple studies had reported the isolation of BACs with diverse pharmacological activities from Acacia pennata (L.) Willd. This review aims to compile all the available data on the pharmacological activities of the BACs that had been isolated from A. pennata. An online literature survey was carried out on academic databases namely Scopus, Science Direct, PubMed, and Google Scholar. Keywords such as ‘Acacia pennata’, ‘isolated compound’, and ‘pharmacological activity’ were used, either alone or in combination. A total of 52 articles published between the year 1980 to 2020 that contained relevant information on A. pennata were identified and collected. To date, a total of 29 compounds had been isolated from A. pennata. The compounds isolated from A. pennata belonged to secondary metabolites namely triterpenoid ketone, ceramide, alkaloid, saponin, flavonoid-glycoside, and terpenoid. A total of 22 BACs had been evaluated for biological activities such as anti-Alzheimer, anti-inflammatory, antioxidant, anti-diabetic, anti-obesity, anti-viral, anti-nociceptive, and anti-cancer activities. The pharmacological activities of 7 compounds isolated from A. pennata remained unexplored. A total of 14 compounds that had been isolated from A. pennata were also reported to be isolated from other plants. This comprehensive review provides an update on all the pharmacological works that had been carried out on the isolated BACs of A. pennata to date. In-silico techniques may be applied to repurpose the isolated BACs of A. pennata prior to wet lab studies. Show less...

Acacia pennata bioactive compounds ethnopharmacology phytochemistry in-silico

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