Sunday N. Okafor  Pavimol Angsantikul  Hashim Ahmed 《International journal of molecular sciences》2022,23(20)

The human immunodeficiency virus type 1 (HIV-1) has continued to be a global concern. With the new HIV incidence, the emergence of multi-drug resistance and the untoward side effects of currently used anti-HIV drugs, there is an urgent need to discover more efficient anti-HIV drugs. Modern computational tools have played vital roles in facilitating the drug discovery process. This research focuses on a pharmacophore-based similarity search to screen 111,566,735 unique compounds in the PubChem database to discover novel HIV-1 protease inhibitors (PIs). We used an in silico approach involving a 3D-similarity search, physicochemical and ADMET evaluations, HIV protease-inhibitor prediction (IC₅₀/percent inhibition), rigid receptor–molecular docking studies, binding free energy calculations and molecular dynamics (MD) simulations. The 10 FDA-approved HIV PIs (saquinavir, lopinavir, ritonavir, amprenavir, fosamprenavir, atazanavir, nelfinavir, darunavir, tipranavir and indinavir) were used as reference. The in silico analysis revealed that fourteen out of the twenty-eight selected optimized hit molecules were within the acceptable range of all the parameters investigated. The hit molecules demonstrated significant binding affinity to the HIV protease (PR) when compared to the reference drugs. The important amino acid residues involved in hydrogen bonding and п-п stacked interactions include ASP25, GLY27, ASP29, ASP30 and ILE50. These interactions help to stabilize the optimized hit molecules in the active binding site of the HIV-1 PR (PDB ID: 2Q5K). HPS/002 and HPS/004 have been found to be most promising in terms of IC₅₀/percent inhibition (90.15%) of HIV-1 PR, in addition to their drug metabolism and safety profile. These hit candidates should be investigated further as possible HIV-1 PIs with improved efficacy and low toxicity through in vitro experiments and clinical trial investigations.  相似文献   

    

Innocent U. Okagu  Timothy P. C. Ezeorba  Rita N. Aguchem  Ikenna C. Ohanenye  Emmanuel C. Aham  Sunday N. Okafor  Carlotta Bollati  Carmen Lammi 《International journal of molecular sciences》2022,23(15)

The drugs used for treating bone diseases (BDs), at present, elicit hazardous side effects that include certain types of cancers and strokes, hence the ongoing quest for the discovery of alternatives with little or no side effects. Natural products (NPs), mainly of plant origin, have shown compelling promise in the treatments of BDs, with little or no side effects. However, the paucity in knowledge of the mechanisms behind their activities on bone remodeling has remained a hindrance to NPs’ adoption. This review discusses the pathological development of some BDs, the NP-targeted components, and the actions exerted on bone remodeling signaling pathways (e.g., Receptor Activator of Nuclear Factor κ B-ligand (RANKL)/monocyte/macrophage colony-stimulating factor (M-CSF)/osteoprotegerin (OPG), mitogen-activated protein kinase (MAPK)s/c-Jun N-terminal kinase (JNK)/nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB), Kelch-like ECH-associated protein 1 (Keap-1)/nuclear factor erythroid 2–related factor 2 (Nrf2)/Heme Oxygenase-1 (HO-1), Bone Morphogenetic Protein 2 (BMP2)-Wnt/β-catenin, PhosphatidylInositol 3-Kinase (PI3K)/protein kinase B (Akt)/Glycogen Synthase Kinase 3 Beta (GSK3β), and other signaling pathways). Although majority of the studies on the osteoprotective properties of NPs against BDs were conducted ex vivo and mostly on animals, the use of NPs for treating human BDs and the prospects for future development remain promising.  相似文献   

    

Victor Tosin Okomoda  Sunday Abraham Oladimeji  Shola Gabriel Solomon  Samuel Olabode Olufeagba  Samuel Ijabo Ogah  Mhd Ikhwanuddin 《Food Science & Nutrition》2023,11(3):1157-1165

The aquaponics production system integrates hydroponics and recirculatory aquaculture system for the simultaneous production of plants and fish. At a time, such as the postpandemic era, the aquaponics system represents an efficient green farming and eco-friendly alternative to sustainable agricultural production. In this review, the history and development of the production systems were traced vis-a-vis its pros and cons. Although there has been much dispute about the origin of the system, the numerous records of developmental attempts in history have all led to the current complexity of the systems and their efficiency. Water conservation, improved performance, food security, less pollution, and low energy consumption are some of the advantages identified in the use of aquaponics systems for food production. Challenges to the domestication of the system, however, include moderately high start-up capital, the need for stable electricity to operate the system, nutrient availability, as well as treatment of diseases in the system. Although the aquaponics production system could be a panacea for food security in Africa, modalities for the domestication of this technology are largely not in place, hence the need for some government interventions in this regard.  相似文献   

    

Wen Xue  Wen Shi  Mitchell Kuss  Yunfan Kong  Olawale A Alimi  Han-Jun Wang  Dominick J DiMaio  Cunjiang Yu  Bin Duan 《Advanced functional materials》2023,33(2):2209971

Peripheral nerve transection has a high prevalence and results in functional loss of affected limbs. The current clinical treatment using suture anastomosis significantly limits nerve recovery due to severe inflammation, secondary damage, and fibrosis. Fibrin glue, a commercial nerve adhesive as an alternative, avoids secondary damage but suffers from poor adhesion strength. To address their limitations, a highly efficacious nerve adhesive based on dual-cross-linking of dopamine-isothiocyanate modified hyaluronic acid and decellularized nerve matrix is reportedr. This dual-network nerve adhesive (DNNA) shows controllable gelation behaviors feasible for surgical applications, robust adhesion strength, and promotes axonal outgrowth in vitro. The in vivo therapeutic efficacy is tested using a rat-based sciatic nerve transection model. The DNNA decreases fibrosis and accelerates axon/myelin debris clearance at 10 days post-surgery, compared to suture and commercial fibrin glue treatments. At 10 weeks post-surgery, the strong adhesion and bioactivity allow DNNA to significantly decrease intraneural inflammation and fibrosis, enhance axon connection and remyelination, aid motor and sensory function recovery, as well as improve muscle contraction, compared to suture and fibrin treatments. Overall, this dual-network hydrogel with robust adhesion provides a rapid and highly efficacious nerve transection treatment to facilitate nerve repair and neuromuscular function recovery.  相似文献   

    

Oluwafemi Adeleke Ojo  Mary Abiola Okesola  Lisa Ilobekemen Ekakitie  Basiru Olaitan Ajiboye  Babatunji Emmanuel Oyinloye  Precious Eseose Agboinghale  Amos Sunday Onikanni 《Journal of the science of food and agriculture》2020,100(12):4504-4511

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Sunday O. Oyedemi  Godswill Nwaogu  Chika I. Chukwuma  Olaoluwa T. Adeyemi  Motlalepula G. Matsabisa  Shasank S. Swain  Olayinka A. Aiyegoro 《Journal of Food Biochemistry》2020,44(2):e13127

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Sunday Samuel Sobowale  Janet Adeyinka Adebiyi  Oluwafemi Ayodeji Adebo 《Journal of food process engineering》2017,40(3)

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Chibuike C. Udenigwe  Abraham T. Girgih  Aishwarya Mohan  Min Gong  Sunday A. Malomo  Rotimi E. Aluko 《Journal of Food Biochemistry》2017,41(4)

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Owolabi  Taoreed O.  Oloore  Luqman E.  Akande  Kabiru O.  Olatunji  Sunday O. 《Neural computing & applications》2017,31(2):1291-1298

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Bukola C. Adedayo  Sunday I. Oyeleye  Bathlomew M. Okeke  Ganiyu Oboh 《Flavour and Fragrance Journal》2021,36(1):47-54

Carica papaya, commonly known as pawpaw, is a tropical plant cultivated for its edible ripe fruits. However, its leaf is being use traditionally against several life‐threatening illnesses, including Alzheimer disease (AD). This study compared the cholinesterases (ChEs) inhibitory effect and antioxidant property of alkaloid and phenolic [aqueous, acetone and methanol‐HCL (0.1:50 w/v)] rich extracts of Pawpaw leaf. The extracts were prepared to the concentration of 2 mg/mL, thereafter, effect on ChEs [acetylcholinesterase (AChE) and butyrylcholinesterase (BChE)] activities, and production of quinolone (QA) and Fe‐induced thiobarbituric reactive acid species (TBARS)] as well as antioxidant [ferric reducing antioxidant property (FRAP), 2, 2‐diphenyl‐1‐ picrylhydrazyl (DPPH) radical scavenging ability] properties were determined. Total phenol and flavonoid contents of the phenolic‐rich extracts, as well as gas chromatography analysis of an alkaloid extract, were carried out. Results revealed that hydromethanolic extract had the highest AChE inhibitory effect while aqueous extract had the highest BChE inhibitory potential. Hydromethanolic extract demonstrated highest inhibitory effect on Fe²⁺‐induced TBARS production, while alkaloid extract had strong inhibition on QA‐induced TBARS production. Aqueous extract had the highest total phenol content, while hydromethanolic extract had the highest total flavonoid content. All the extract exhibited anticholinesterases and antioxidant properties, however, hydromethanolic extract appears to be the most potent and could be as a result of its rich flavonoid content. The biological properties of the studied extract could be the underlying neuromodulatory mechanism of actions of pawpaw leaf in folklore against some neurological disorders.  相似文献