Molecular docking and dynamic studies of crepiside E beta glucopyranoside as an inhibitor of snake venom PLA2

Kumar, Mala S; Revikumar, Amjesh; Bhaskaran, Silpa; Delphin, R D; Nair, Achuthsankar S.; Sudhakaran, P. R.

doi:10.1007/s00894-019-3954-2

Cited by 9 publications

(5 citation statements)

References 46 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In few instances, the structural characterization of the inhibitor-toxin complex has been described via crystallography, as in the case of aristolochic acid [ 133 ], rosemarinic acid [ 134 ], and caffeic acid [ 135 ]. Moreover, docking and molecular dynamics simulations have also been used to analyze the interaction of plant-derived metabolites with snake venom PLA 2 s and SVMPs [ 136 , 137 , 138 ]. Despite abundant research in the field of plant extracts and snake venoms, to the best of our knowledge no venom-inhibitory drug derived from a plant secondary metabolite has been approved so far for clinical use in the treatment of snakebite envenomings.…”

Section: Inhibitors Of Snake Venom Toxinsmentioning

confidence: 99%

The Search for Natural and Synthetic Inhibitors That Would Complement Antivenoms as Therapeutics for Snakebite Envenoming

Gutiérrez

Albulescu

Clare

et al. 2021

Toxins

View full text Add to dashboard Cite

A global strategy, under the coordination of the World Health Organization, is being unfolded to reduce the impact of snakebite envenoming. One of the pillars of this strategy is to ensure safe and effective treatments. The mainstay in the therapy of snakebite envenoming is the administration of animal-derived antivenoms. In addition, new therapeutic options are being explored, including recombinant antibodies and natural and synthetic toxin inhibitors. In this review, snake venom toxins are classified in terms of their abundance and toxicity, and priority actions are being proposed in the search for snake venom metalloproteinase (SVMP), phospholipase A2 (PLA2), three-finger toxin (3FTx), and serine proteinase (SVSP) inhibitors. Natural inhibitors include compounds isolated from plants, animal sera, and mast cells, whereas synthetic inhibitors comprise a wide range of molecules of a variable chemical nature. Some of the most promising inhibitors, especially SVMP and PLA2 inhibitors, have been developed for other diseases and are being repurposed for snakebite envenoming. In addition, the search for drugs aimed at controlling endogenous processes generated in the course of envenoming is being pursued. The present review summarizes some of the most promising developments in this field and discusses issues that need to be considered for the effective translation of this knowledge to improve therapies for tackling snakebite envenoming.

show abstract

Section: Inhibitors Of Snake Venom Toxinsmentioning

confidence: 99%

The Search for Natural and Synthetic Inhibitors That Would Complement Antivenoms as Therapeutics for Snakebite Envenoming

Gutiérrez

Albulescu

Clare

et al. 2021

Toxins

View full text Add to dashboard Cite

show abstract

“…Thus, this review will not discuss the group IIE in detail. For example, the venom of the Indian spectacled cobra ( Naja naja, Elapidae family) belongs to group IA, while the Indian Russell’s Viper svPLA 2 ( Daboia russelii , Viperidae family) belongs to group IIA . Traditionally, the svPLA 2 of the Gaboon viper ( Bitis gabonica ) is placed separately as the only member of the group-IIB svPLA 2 due to having only six disulfide bonds.…”

Section: Introduction To Snake Venommentioning

confidence: 99%

“…For example, the venom of the Indian spectacled cobra ( Naja naja, Elapidae family) belongs to group IA, while the Indian Russell’s Viper svPLA 2 ( Daboia russelii , Viperidae family) belongs to group IIA. 32 Traditionally, the svPLA 2 of the Gaboon viper ( Bitis gabonica ) is placed separately as the only member of the group-IIB svPLA 2 due to having only six disulfide bonds. However, other vipers, such as the rhinoceros viper ( Bitis nasicornis ) and the Saharan horned viper ( Cerastes cerastes ), share this characteristic and should be placed in the same svPLA 2 -IIB group.…”

Section: Introduction To Snake Venommentioning

confidence: 99%

Catalytically Active Snake Venom PLA₂ Enzymes: An Overview of Its Elusive Mechanisms of Reaction

et al. 2023

View full text Add to dashboard Cite

Snake venom-secreted phospholipase A 2 (svPLA 2 ) enzymes, both catalytically active and inactive, are a central component in envenoming. These are responsible for disrupting the cell membrane's integrity, inducing a wide range of pharmacological effects, such as the necrosis of the bitten limb, cardiorespiratory arrest, edema, and anticoagulation. Although extensively characterized, the reaction mechanisms of enzymatic svPLA 2 are still to be thoroughly understood. This review presents and analyses the most plausible reaction mechanisms for svPLA 2, such as the "single-water mechanism" or the "assisted-water mechanism" initially proposed for the homologous human PLA 2 . All of the mechanistic possibilities are characterized by a highly conserved Asp/His/water triad and a Ca 2+ cofactor. The extraordinary increase in activity induced by binding to a lipid−water interface, known as "interfacial activation," critical for the PLA 2 s activity, is also discussed. Finally, a potential catalytic mechanism for the postulated noncatalytic PLA 2 -like proteins is anticipated.

show abstract

“…This enzyme is categorized into two groups including Ӏ-A and ӀӀ-A. Venoms of Naja Naja and Daboia russelli are primarily composed of Ӏ-PLA2 and ӀӀ-PLA2, respectively (Kumar et al, 2019;Bhat, Gowda, 1989;Raghavamma, Rao, Rao, 2016).…”

Section: Introductionmentioning

confidence: 99%

“…Monovalent and polyvalent antivenoms are unique types of antidotes for snakebite management (Kumar et al, 2019). Considering the cost-effectiveness and accessibility, the use of monovalent antivenoms is more frequent than polyvalent antivenoms.…”

Section: Introductionmentioning

confidence: 99%

Anti-Snake Venom Property of Medicinal Plants: A Comprehensive Review of Literature

Liaqat¹,

Mallhi

Khan

et al. 2022

Braz. J. Pharm. Sci.

View full text Add to dashboard Cite

Snakebite is one of the major health issues posing considerable morbidity and mortality. According to an estimate of World Health Organization (WHO) (World health organization, 2021) approximately 5 million people are bitten by several species of snakes resulting in up to 2.5 million envenomation cases annually. The mainstay of treatment for envenomation is intravenous administration of anti-snake venom. Although antivenom neutralizes the systemic effects but it does not relieve the symptoms such as venom-induced hemorrhage, necrosis and nephrotoxicity. Moreover, the use of antivenoms is associated with hypersensitivity reactions including urticaria, anaphylaxis, or serum sickness due to their heterologous property. Furthermore, stringent storage conditions and narrow specificity of antivenoms limit their use in both developed as well as developing countries. In this context, researchers have been searching for natural products and plant extracts to explore their antivenom activity along with anti-myotoxic, anti-hemorrhagic and anti-inflammatory properties. Plant remedies may prove to be an effective alternate for antivenom sera with less adverse events and better tolerability. To the best of our knowledge, this is the first comprehensive review of medicinal plants possessing anti-snake venom activities against certain species of snakes. The current review highlights the investigated plants with their phytochemical analysis to integrate the available information for future research and development of antivenom sera.

show abstract

Molecular docking and dynamic studies of crepiside E beta glucopyranoside as an inhibitor of snake venom PLA2

Cited by 9 publications

References 46 publications

The Search for Natural and Synthetic Inhibitors That Would Complement Antivenoms as Therapeutics for Snakebite Envenoming

The Search for Natural and Synthetic Inhibitors That Would Complement Antivenoms as Therapeutics for Snakebite Envenoming

Catalytically Active Snake Venom PLA₂ Enzymes: An Overview of Its Elusive Mechanisms of Reaction

Anti-Snake Venom Property of Medicinal Plants: A Comprehensive Review of Literature

Contact Info

Product

Resources

About

Molecular docking and dynamic studies of crepiside E beta glucopyranoside as an inhibitor of snake venom PLA2

Cited by 9 publications

References 46 publications

The Search for Natural and Synthetic Inhibitors That Would Complement Antivenoms as Therapeutics for Snakebite Envenoming

The Search for Natural and Synthetic Inhibitors That Would Complement Antivenoms as Therapeutics for Snakebite Envenoming

Catalytically Active Snake Venom PLA2 Enzymes: An Overview of Its Elusive Mechanisms of Reaction

Anti-Snake Venom Property of Medicinal Plants: A Comprehensive Review of Literature

Contact Info

Product

Resources

About

Catalytically Active Snake Venom PLA₂ Enzymes: An Overview of Its Elusive Mechanisms of Reaction