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Article: Computational pharmacology and computational chemistry of 4-hydroxyisoleucine: Physicochemical, pharmacokinetic, and DFT-based approaches.

Ahmad, Imad / Kuznetsov, Aleksey E / Pirzada, Abdul Saboor / Alsharif, Khalaf F / Daglia, Maria / Khan, Haroon

2023 Volume 11, Page(s) 1145974

Abstract: Computational pharmacology and chemistry of drug-like properties along with pharmacokinetic studies have made it more amenable to decide or predict a potential drug candidate. 4-Hydroxyisoleucine is a pharmacologically active natural product with ... ...

Abstract	Computational pharmacology and chemistry of drug-like properties along with pharmacokinetic studies have made it more amenable to decide or predict a potential drug candidate. 4-Hydroxyisoleucine is a pharmacologically active natural product with prominent antidiabetic properties. In this study, ADMETLab 2.0 was used to determine its important drug-related properties. 4-Hydroxyisoleucine is compliant with important drug-like physicochemical properties and pharma giants' drug-ability rules like Lipinski's, Pfizer, and GlaxoSmithKline (GSK) rules. Pharmacokinetically, it has been predicted to have satisfactory cell permeability. Blood-brain barrier permeation may add central nervous system (CNS) effects, while a very slight probability of being CYP2C9 substrate exists. None of the well-known toxicities were predicted
Language	English
Publishing date	2023-04-13
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2711776-5
ISSN	2296-2646
ISSN	2296-2646
DOI	10.3389/fchem.2023.1145974
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Article ; Online: Frequency of the HAMP (c.-582 A>G) Polymorphism in Iron Deficiency in Saudi Arabia.

Al-Amer, Osama / Alsharif, Khalaf F

Pakistan journal of biological sciences : PJBS

2021 Volume 24, Issue 1, Page(s) 146–150

Abstract: Background and objective: Hepcidin, a key element in iron hemostasis, is a small antimicrobial peptide encoded by the HAMP gene on 19q13. Several studies have revealed that the expression of hepcidin is influenced by single nucleotide polymorphisms ... ...

Abstract	Background and objective: Hepcidin, a key element in iron hemostasis, is a small antimicrobial peptide encoded by the HAMP gene on 19q13. Several studies have revealed that the expression of hepcidin is influenced by single nucleotide polymorphisms located in the promoter region of HAMP. Therefore, this research aimed to study the frequency distribution of HAMP promoter genetic variants and their associations with serum iron, serum transferrin and serum ferritin levels in Saudi Arabian women (aged 15-25). Materials and methods: The study was conducted on 108 female subjects, among whom 50 had normal levels of iron and 58 were iron deficient. All participants were enrolled at the University of Tabuk. The HAMP promoter rs10421768 A>G gene polymorphism (c.-582 A>G) was detected by using an allele-specific or amplification-refractory mutation PCR system. The AS-PCR primers were designed by using Primer3 software. Results: The frequencies of HAMP promoter rs10421768 genotypes AA, AG and GG were 3.45, 96.55 and 0% in the iron-deficient women and 12, 88 and 0% in the healthy women, respectively. The distributions of the HAMP promoter c.-582 A>G genotypes observed between the iron-deficient and normal women were not significantly different (p = 0.239). A significant difference in the HAMP genotype (c.-582 A>G) between the iron-deficient women and healthy women was associated with reduced serum iron (p = 0.049). Conclusion: The results indicated that the HAMP genotype (c.-582 A>G) was associated with reduced serum iron in women in northern Saudi Arabia. However, no significant difference was found between healthy women and iron-deficient women.
MeSH term(s)	Anemia, Iron-Deficiency/blood ; Anemia, Iron-Deficiency/diagnosis ; Anemia, Iron-Deficiency/genetics ; Biomarkers/blood ; Case-Control Studies ; Female ; Ferritins/blood ; Genetic Association Studies ; Genetic Predisposition to Disease ; Hepcidins/genetics ; Humans ; Iron/blood ; Phenotype ; Polymorphism, Single Nucleotide ; Promoter Regions, Genetic ; Saudi Arabia ; Transferrin/metabolism
Chemical Substances	Biomarkers ; HAMP protein, human ; Hepcidins ; Transferrin ; Ferritins (9007-73-2) ; Iron (E1UOL152H7)
Language	English
Publishing date	2021-03-08
Publishing country	Pakistan
Document type	Journal Article
ISSN	1812-5735
ISSN (online)	1812-5735
DOI	10.3923/pjbs.2021.146.150
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Article: New insight into strategies used to develop long-acting G-CSF biologics for neutropenia therapy.

Theyab, Abdulrahman / Alsharif, Khalaf F / Alzahrani, Khalid J / Oyouni, Atif Abdulwahab A / Hawsawi, Yousef MohammedRabaa / Algahtani, Mohammad / Alghamdi, Saad / Alshammary, Amal F

Frontiers in oncology

2023 Volume 12, Page(s) 1026377

Abstract: Over the last 20 years, granulocyte colony-stimulating factors (G-CSFs) have become the major therapeutic option for the treatment of patients with neutropenia. Most of the current G-CSFs require daily injections, which are inconvenient and expensive for ...

Abstract	Over the last 20 years, granulocyte colony-stimulating factors (G-CSFs) have become the major therapeutic option for the treatment of patients with neutropenia. Most of the current G-CSFs require daily injections, which are inconvenient and expensive for patients. Increased understanding of G-CSFs' structure, expression, and mechanism of clearance has been very instrumental in the development of new generations of long-acting G-CSFs with improved efficacy. Several approaches to reducing G-CSF clearance
Language	English
Publishing date	2023-01-05
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	2649216-7
ISSN	2234-943X
ISSN	2234-943X
DOI	10.3389/fonc.2022.1026377
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Article ; Online: Clinical and prognostic significance of CD27 and CD44 expression patterns in Egyptian pediatric patients with B-precursor acute lymphoblastic leukemia.

Abobakr, Asmaa / Osman, Randa A / Kamal, Mohamed A M / Abdelhameed, Sayed Abed / Ismail, Hagar H / Kamel, Mahmoud M / Alsharif, Khalaf F / Hamad, Nema R

Hematology, transfusion and cell therapy

2023

Abstract: Introduction: The expression pattern of CD27 and CD44 was found to correlate with the differentiation stages of B cell precursors, which were known to be involved in a variety of immunological responses.: Aim of the study: This study aimed to ... ...

Abstract	Introduction: The expression pattern of CD27 and CD44 was found to correlate with the differentiation stages of B cell precursors, which were known to be involved in a variety of immunological responses. Aim of the study: This study aimed to determine the biological significance of CD27 and CD44 expression in patients with B-precursor acute lymphoblastic leukemia (B-ALL), as well as their association with standard prognostic factors and therapeutic response. Patients and methods: This case-control study included 60 pediatric patients newly diagnosed with B-ALL and 30 pediatric controls. The patient CD27 and CD44 levels were measured using the Beckman Coulter Navios Flow Cytometer. Results: Most malignant cells (91.6 %) expressed CD44, but only 50 % of the patients had CD27 expressed. The positive CD 44 expression was associated with unfavorable prognostic markers, including a decrease.
Language	English
Publishing date	2023-12-06
Publishing country	Brazil
Document type	Journal Article
ISSN	2531-1387
ISSN (online)	2531-1387
DOI	10.1016/j.htct.2023.10.003
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Article ; Online: Comparative assessment of anti-cancer drugs against NUDT15 variants to prevent leucopenia side effect in leukemia patients.

V, Janakiraman / M, Sudhan / Alsharif, Khalaf F / Halawani, Ibrahim F / Ahmed, Shiek S S J / Patil, Shankargouda

Journal, genetic engineering & biotechnology

2023 Volume 21, Issue 1, Page(s) 82

Abstract: Background: Human nucleotide triphosphate diphosphatase (NUDT15) is one of the essential proteins involved in the hydrolysis of anti-cancer drugs against leukemia. Polymorphisms in NUDT15 significantly affect the hydrolysis activity that leads to side ... ...

Abstract	Background: Human nucleotide triphosphate diphosphatase (NUDT15) is one of the essential proteins involved in the hydrolysis of anti-cancer drugs against leukemia. Polymorphisms in NUDT15 significantly affect the hydrolysis activity that leads to side effects, including leucopenia. Drugs having a better affinity with NUDT15 protein and contributing stable conformation may benefit patients from leucopenia. Most frequent NUDT15 polymorphisms causing structure variability and their association with leukemia were screened. The selected protein variants and anti-cancer drug structures were collected. Further, molecular docking was performed between drugs and NUDT15 variants along with the wild-type. Finally, molecular dynamics were executed for 100 ns to understand the stability of the protein with the anti-cancer drug based on molecular trajectories. Results: Three-dimensional structures of NUDT15 wild, the most frequent variants (Val18Ile, Arg139Cys, and Arg139), and the anti-cancer drugs (azathioprine, mercaptopurine, and thioguanine) were selected and retrieved from structure databases. On molecular docking the binding energies of anti-cancer drugs against NUDT15 structures ranged from - 5.0 to - 5.9 kcal/mol. Among them, azathioprine showed the highest affinities (- 7.3 kcal/mol) for the wild and variant structures. Additionally, the molecular dynamics suggest all analyzed NUDT15 were stable with azathioprine based on the dynamic trajectories. Conclusion: Our results suggest azathioprine could be the preferable anti-cancer drug for the population with NUDT15 variants that could effectively be hydrolyzed as evidenced by molecular docking and dynamic simulation.
Language	English
Publishing date	2023-08-09
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	2637420-1
ISSN	2090-5920 ; 1687-157X ; 2090-5920
ISSN (online)	2090-5920
ISSN	1687-157X ; 2090-5920
DOI	10.1186/s43141-023-00538-1
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Article: Regulatory Effects of Curcumin on Platelets: An Update and Future Directions.

Hussain, Yaseen / Abdullah / Khan, Fazlullah / Alsharif, Khalaf F / Alzahrani, Khalid J / Saso, Luciano / Khan, Haroon

Biomedicines

2022 Volume 10, Issue 12

Abstract: The rhizomatous plant turmeric, which is frequently used as a spice and coloring ingredient, yields curcumin, a bioactive compound. Curcumin inhibits platelet activation and aggregation and improves platelet count. Platelets dysfunction results in ... ...

Abstract	The rhizomatous plant turmeric, which is frequently used as a spice and coloring ingredient, yields curcumin, a bioactive compound. Curcumin inhibits platelet activation and aggregation and improves platelet count. Platelets dysfunction results in several disorders, including inflammation, atherothrombosis, and thromboembolism. Several studies have proved the beneficial role of curcumin on platelets and hence proved it is an important candidate for the treatment of the aforementioned diseases. Moreover, curcumin is also frequently employed as an anti-inflammatory agent in conventional medicine. In arthritic patients, it has been shown to reduce the generation of pro-inflammatory eicosanoids and to reduce edema, morning stiffness, and other symptoms. Curcumin taken orally also reduced rats' acute inflammation brought on by carrageenan. Curcumin has also been proven to prevent atherosclerosis and platelet aggregation, as well as to reduce angiogenesis in adipose tissue. In the cerebral microcirculation, curcumin significantly lowered platelet and leukocyte adhesion. It largely modulated the endothelium to reduce platelet adhesion. Additionally, P-selectin expression and mice survival after cecal ligation and puncture were improved by curcumin, which also altered platelet and leukocyte adhesion and blood-brain barrier dysfunction. Through regulating many processes involved in platelet aggregation, curcuminoids collectively demonstrated detectable antiplatelet activity. Curcuminoids may therefore be able to prevent disorders linked to platelet activation as possible therapeutic agents. This review article proposes to highlight and discuss the regulatory effects of curcumin on platelets.
Language	English
Publishing date	2022-12-08
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	2720867-9
ISSN	2227-9059
ISSN	2227-9059
DOI	10.3390/biomedicines10123180
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Article ; Online: The Therapeutic Potential of Kaemferol and Other Naturally Occurring Polyphenols Might Be Modulated by Nrf2-ARE Signaling Pathway: Current Status and Future Direction.

Hussain, Yaseen / Khan, Haroon / Alsharif, Khalaf F / Hayat Khan, Amjad / Aschner, Michael / Saso, Luciano

Molecules (Basel, Switzerland)

2022 Volume 27, Issue 13

Abstract: Kaempferol is a natural flavonoid, which has been widely investigated in the treatment of cancer, cardiovascular diseases, metabolic complications, and neurological disorders. Nrf2 (nuclear factor erythroid 2-related factor 2) is a transcription factor ... ...

Abstract	Kaempferol is a natural flavonoid, which has been widely investigated in the treatment of cancer, cardiovascular diseases, metabolic complications, and neurological disorders. Nrf2 (nuclear factor erythroid 2-related factor 2) is a transcription factor involved in mediating carcinogenesis and other ailments, playing an important role in regulating oxidative stress. The activation of Nrf2 results in the expression of proteins and cytoprotective enzymes, which provide cellular protection against reactive oxygen species. Phytochemicals, either alone or in combination, have been used to modulate Nrf2 in cancer and other ailments. Among them, kaempferol has been recently explored for its anti-cancer and other anti-disease therapeutic efficacy, targeting Nrf2 modulation. In combating cancer, diabetic complications, metabolic disorders, and neurological disorders, kaempferol has been shown to regulate Nrf2 and reduce redox homeostasis. In this context, this review article highlights the current status of the therapeutic potential of kaempferol by targeting Nrf2 modulation in cancer, diabetic complications, neurological disorders, and cardiovascular disorders. In addition, we provide future perspectives on kaempferol targeting Nrf2 modulation as a potential therapeutic approach.
MeSH term(s)	Diabetes Complications ; Humans ; Kaempferols/pharmacology ; Kaempferols/therapeutic use ; NF-E2-Related Factor 2/metabolism ; Neoplasms/drug therapy ; Neoplasms/metabolism ; Nervous System Diseases ; Oxidative Stress ; Polyphenols/pharmacology ; Polyphenols/therapeutic use ; Signal Transduction
Chemical Substances	Kaempferols ; NF-E2-Related Factor 2 ; Polyphenols
Language	English
Publishing date	2022-06-28
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	1413402-0
ISSN	1420-3049 ; 1431-5165 ; 1420-3049
ISSN (online)	1420-3049
ISSN	1431-5165 ; 1420-3049
DOI	10.3390/molecules27134145
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Article ; Online: Flavonoids Targeting the mTOR Signaling Cascades in Cancer: A Potential Crosstalk in Anti-Breast Cancer Therapy.

Hussain, Yaseen / Khan, Haroon / Alam, Waqas / Aschner, Michael / Abdullah / Alsharif, Khalaf F / Saso, Luciano

Oxidative medicine and cellular longevity

2022 Volume 2022, Page(s) 4831833

Abstract: Cancer is one of the leading causes of death worldwide. Breast cancer is the second leading cause of death in women, with triple-negative breast cancer being the most lethal and aggressive form. Conventional therapies, such as radiation, surgery, ... ...

Abstract	Cancer is one of the leading causes of death worldwide. Breast cancer is the second leading cause of death in women, with triple-negative breast cancer being the most lethal and aggressive form. Conventional therapies, such as radiation, surgery, hormonal, immune, gene, and chemotherapy, are widely used, but their therapeutic efficacy is limited due to adverse side effects, toxicities, resistance, recurrence, and therapeutic failure. Many molecules have been identified and investigated as potential therapeutic agents for breast cancer, with a focus on various signaling pathways. Flavonoids are a versatile class of phytochemicals that have been used in cancer treatment to overcome issues with traditional therapies. Cell proliferation, growth, apoptosis, autophagy, and survival are all controlled by mammalian target of rapamycin (mTOR) signaling. Flavonoids target mTOR signaling in breast cancer, and when this signaling pathway is regulated or deregulated, various signaling pathways provide potential therapeutic means. The role of various flavonoids as phytochemicals in targeting mTOR signaling pathways in breast cancer is highlighted in this review.
MeSH term(s)	Cell Proliferation ; Female ; Flavonoids/pharmacology ; Flavonoids/therapeutic use ; Humans ; Signal Transduction ; TOR Serine-Threonine Kinases/metabolism ; Triple Negative Breast Neoplasms
Chemical Substances	Flavonoids ; MTOR protein, human (EC 2.7.1.1) ; TOR Serine-Threonine Kinases (EC 2.7.11.1)
Language	English
Publishing date	2022-06-27
Publishing country	United States
Document type	Journal Article ; Review
ZDB-ID	2455981-7
ISSN	1942-0994 ; 1942-0994
ISSN (online)	1942-0994
ISSN	1942-0994
DOI	10.1155/2022/4831833
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Article ; Online: Alkaloids and Colon Cancer: Molecular Mechanisms and Therapeutic Implications for Cell Cycle Arrest.

Khan, Haroon / Alam, Waqas / Alsharif, Khalaf F / Aschner, Michael / Pervez, Samreen / Saso, Luciano

Molecules (Basel, Switzerland)

2022 Volume 27, Issue 3

Abstract: Cancer is the second most fatal disease worldwide, with colon cancer being the third most prevalent and fatal form of cancer in several Western countries. The risk of acquisition of resistance to chemotherapy remains a significant hurdle in the ... ...

Abstract	Cancer is the second most fatal disease worldwide, with colon cancer being the third most prevalent and fatal form of cancer in several Western countries. The risk of acquisition of resistance to chemotherapy remains a significant hurdle in the management of various types of cancer, especially colon cancer. Therefore, it is essential to develop alternative treatment modalities. Naturally occurring alkaloids have been shown to regulate various mechanistic pathways linked to cell proliferation, cell cycle, and metastasis. This review aims to shed light on the potential of alkaloids as anti-colon-cancer chemotherapy agents that can modulate or arrest the cell cycle. Preclinical investigated alkaloids have shown anti-colon cancer activities and inhibition of cancer cell proliferation via cell cycle arrest at different stages, suggesting that alkaloids may have the potential to act as anticancer molecules.
MeSH term(s)	Alkaloids/chemistry ; Alkaloids/pharmacology ; Alkaloids/therapeutic use ; Animals ; Antineoplastic Agents/chemistry ; Antineoplastic Agents/pharmacology ; Antineoplastic Agents/therapeutic use ; Apoptosis/drug effects ; Cell Cycle Checkpoints/drug effects ; Cell Proliferation/drug effects ; Colonic Neoplasms/drug therapy ; Colonic Neoplasms/metabolism ; Colonic Neoplasms/pathology ; Drug Discovery ; Humans
Chemical Substances	Alkaloids ; Antineoplastic Agents
Language	English
Publishing date	2022-01-28
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	1413402-0
ISSN	1420-3049 ; 1431-5165 ; 1420-3049
ISSN (online)	1420-3049
ISSN	1431-5165 ; 1420-3049
DOI	10.3390/molecules27030920
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Article ; Online: Therapeutic potential of marine peptides in malignant melanoma.

Ahmed, Salman / Alam, Waqas / Alsharif, Khalaf F / Aschner, Michael / Alzahrani, Fuad M / Saso, Luciano / Khan, Haroon

Environmental research

2023 Volume 227, Page(s) 115771

Abstract: Malignant melanoma is the most dangerous type of skin cancer. It is becoming more common globally and is increasingly resistant to treatment options. Despite extensive research into its pathophysiology, there are still no proven cures for metastatic ... ...

Abstract	Malignant melanoma is the most dangerous type of skin cancer. It is becoming more common globally and is increasingly resistant to treatment options. Despite extensive research into its pathophysiology, there are still no proven cures for metastatic melanoma. Unfortunately, current treatments are frequently ineffective and costly, and have several adverse effects. Natural substances have been extensively researched for their anti-MM capabilities. Chemoprevention and adjuvant therapy with natural products is an emerging strategy to prevent, cure or treat melanoma. Numerous prospective drugs are found in aquatic species, providing a plentiful supply of lead cytotoxic chemicals for cancer treatment. Anticancer peptides are less harmful to healthy cells and cure cancer through several different methods, such as altered cell viability, apoptosis, angiogenesis/metastasis suppression, microtubule balance disturbances and targeting lipid composition of the cancer cell membrane. This review addresses marine peptides as effective and safe treatments for MM and details their molecular mechanisms of action.
MeSH term(s)	Humans ; Melanoma/drug therapy ; Melanoma/pathology ; Skin Neoplasms/drug therapy ; Antineoplastic Agents/pharmacology ; Antineoplastic Agents/therapeutic use ; Peptides/pharmacology ; Peptides/therapeutic use ; Apoptosis ; Melanoma, Cutaneous Malignant
Chemical Substances	Antineoplastic Agents ; Peptides
Language	English
Publishing date	2023-03-24
Publishing country	Netherlands
Document type	Journal Article ; Review
ZDB-ID	205699-9
ISSN	1096-0953 ; 0013-9351
ISSN (online)	1096-0953
ISSN	0013-9351
DOI	10.1016/j.envres.2023.115771
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