In silico Identification of bioactive compounds from Chasmanthera dependens and Carissa edulis as potential inhibitors of Carbonic anhydrases (CAs) receptors using a target-based drug design approach

Registration ID: IJNRD_224831

Published ID: IJNRD2407144

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Abiodun Sodamade , Abayomi Dele Owonikoko , Abimbola Modupe Olatunde , Oluwatoyin Funke Odoje , Banjo Semire

Epilepsy, Phytochemicals, Carbonic anhydrases, ADMET, Computer Aided Drug Design, Antiepileptic Drugs (AEDs)

Epilepsy is a brain disorder that affects over 65 million people around the globe. Despite the availability of anti-epilepsy drugs, the war against this unmet medical condition is yet to be resolved. Most epilepsy patients are resistant to available anti-epilepsy medications coupled with the strong side effects of these drugs, thus the need for an alternative therapy that is affordable. The therapeutic roles of bioactive compounds from medicinal plants against many diseases can never be over-emphasized for their potency, efficacy, and safety. This arouses our interest to assess the anti-epileptic ability of bioactive compounds from Chasmanthera dependens and Carissa edulis using an in-silico drug design approach. In the current study, ninety-nine (99) phytochemicals from Chasmanthera dependens and Carissa edulis were screened against Carbonic anhydrases (VII and XIV) drug targets through ADMET profile, PASS and molecular docking. The results identified seven (7) compounds vis-à-vis Bisnorargemonine (C6), Catechin (C13), Columbamine (C16), Coreximine (C18), Pallidine (C36), Salicin (C45) and alpha-carissanol (C49) for both CA VII and CA XIV receptors. These selected leads could probably be strong inhibitors of the targets due to their favourable binding affinities, interactions with the targets at the active sites, excellent ADMET profiles, PASS and physicochemical properties than Lacosamide and Acetazolamide, used as standard drugs. Thus, the seven identified lead compounds can be candidates for further investigations for the development of new anti-epilepsy medications.

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Abiodun Sodamade, Abayomi Dele Owonikoko, Abimbola Modupe Olatunde, Oluwatoyin Funke Odoje, & Banjo Semire (July-2024). In silico Identification of bioactive compounds from Chasmanthera dependens and Carissa edulis as potential inhibitors of Carbonic anhydrases (CAs) receptors using a target-based drug design approach. INTERNATIONAL JOURNAL OF NOVEL RESEARCH AND DEVELOPMENT, 9(7), b416-b441. https://ijnrd.org/papers/IJNRD2407144.pdf

Volume 9 Issue 7, July-2024

Pages : b416-b441

Paper Reg. ID: IJNRD_224831

Published Paper Id: IJNRD2407144

Downloads: 000121991

Research Area: Chemistry

Country: Oyo, Oyo State, Nigeria

Published Paper PDF: https://ijnrd.org/papers/IJNRD2407144.pdf

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Journal Name: INTERNATIONAL JOURNAL OF NOVEL RESEARCH AND DEVELOPMENT(IJNRD)

ISSN: 2456-4184 | IMPACT FACTOR: 8.76 Calculated By Google Scholar | ESTD YEAR: 2016

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