Abstract
Objective: Human immunodeficiency virus (HIV) targets the immune system and weakens immune surveillance and defenses against infections,leading to acute immunodeficiency syndrome. Recent trends in drug discovery from natural sources emphasize investigations of compounds frommarine ecosystems.Methods: In this study, we compiled a database of chemical compounds from echinoderms and virtually screened for those that inhibit HIV-1 reversetranscriptase (RT). The database was generated from literature searches. Virtual screening analyses for inhibitors of HIV-1 RT were then performedusing AutoDock software.Results: Based on screening results, the top thirteen ranked compounds were nobilisidenol B, Ech_005, 17-deoxyholothurinogenin,22,25-oxidoholothurinogenin, Ech_022, Ech_026, Ech_021, nobilisidenol A, Ech_025, 5α-cholest-8(14)-ene-3ß,7α-diol, astropecten A, Ech_004, andphrygiasterol.Conclusion: The present in silico screening analyses of compounds from marine ecosystems can be used to identify candidate compounds with highpotential as drugs for the treatment of refractory HIV infections.
Highlights
Marine environments are known sources of unique and potent compounds with pharmacological properties such as antitumor, anti-inflammatory, analgesic, immunomodulatory, anti-allergy, and antiviral activities [1]
Echinoderms are exclusively found in salt water, with no fresh water or terrestrial members or similar organisms have been identified [4]
Several studies have shown that virtual screening could be performed for marine compounds to target various macromolecules such as epidermal growth factor receptor-TK, vascular EGFR-2, mouse double minute 2, and procaspase-3 [12,13,14]
Summary
Marine environments are known sources of unique and potent compounds with pharmacological properties such as antitumor, anti-inflammatory, analgesic, immunomodulatory, anti-allergy, and antiviral activities [1]. Compounds from marine environments have not yet been investigated extensively and have only been researched, collected, extracted, and explored chemically since the mid-late 1960s. Marine resources may provide alternative candidate compounds for new active drugs for the treatment of various diseases, such as human immunodeficiency virus type 1 (HIV-1), a disease that remains a major global public health issue [3]. Novel compounds/ new chemical entities that are peculiar to marine environments are likely to differ from those of terrestrial organisms. Several studies have shown that virtual screening could be performed for marine compounds to target various macromolecules such as epidermal growth factor receptor-TK, vascular EGFR-2, mouse double minute 2, and procaspase-3 [12,13,14]. We performed in silico molecular docking experiments to identify the most promising compounds that can be isolated from echinoderms as HIV-1 reverse transcriptase (RT) inhibitors
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
