دورية أكاديمية
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Design, Synthesis, Molecular Docking Study and Biological Evaluation of Novel γ-Carboline Derivatives of Latrepirdine (Dimebon) as Potent Anticancer Agents.

التفاصيل البيبلوغرافية
العنوان: Design, Synthesis, Molecular Docking Study and Biological Evaluation of Novel γ-Carboline Derivatives of Latrepirdine (Dimebon) as Potent Anticancer Agents.
المؤلفون: Voggu R; Department of Medicinal Chemistry, Aragen Life Sciences Pvt. Ltd. (Formerly Known as GVK Biosciences Pvt. Ltd.), IDA, Nacharam, Hyderabad 500076, Telangana, India.; Department of Engineering Chemistry, Andhra University, Visakhapatnam 530003, Andhra Pradesh, India., Karmakar A; Molecular Science Laboratory, National Institute of Immunology, New Delhi 110067, India., Puli VS; Department of Medicinal Chemistry, Aragen Life Sciences Pvt. Ltd. (Formerly Known as GVK Biosciences Pvt. Ltd.), IDA, Nacharam, Hyderabad 500076, Telangana, India., Damerla VSB; Department of Medicinal Chemistry, Aragen Life Sciences Pvt. Ltd. (Formerly Known as GVK Biosciences Pvt. Ltd.), IDA, Nacharam, Hyderabad 500076, Telangana, India., Mogili P; Department of Engineering Chemistry, Andhra University, Visakhapatnam 530003, Andhra Pradesh, India., Amaladass P; Department of Chemistry, Madanapalle Institute of Technology & Science, Madanapalle 517325, Andhra Pradesh, India., Chidara S; Department of Medicinal Chemistry, Aragen Life Sciences Pvt. Ltd. (Formerly Known as GVK Biosciences Pvt. Ltd.), IDA, Nacharam, Hyderabad 500076, Telangana, India., Pasunooti KK; ProSAM Bioscience Pvt. Ltd., Hyderabad 500049, Telangana, India.; Department of Pharmacology and Molecular Sciences, Johns Hopkins School of Medicine, Baltimore, MD 21205, USA., Gupta S; Molecular Science Laboratory, National Institute of Immunology, New Delhi 110067, India.
المصدر: Molecules (Basel, Switzerland) [Molecules] 2023 Jun 24; Vol. 28 (13). Date of Electronic Publication: 2023 Jun 24.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE
أسماء مطبوعة: Original Publication: Basel, Switzerland : MDPI, c1995-
مواضيع طبية MeSH: Antineoplastic Agents*/chemistry, Female ; Humans ; Molecular Structure ; Structure-Activity Relationship ; Molecular Docking Simulation ; Etoposide/pharmacology ; Cell Line, Tumor ; Cell Proliferation ; Drug Screening Assays, Antitumor ; Drug Design
مستخلص: A series of novel γ-Carboline derivatives were designed and synthesized using the Suzuki coupling reaction to identify the leads for the activity against cancer. Interestingly, these compounds were tested for their anticancer activity against the cell lines, particularly human cancer cell lines MCF7 (breast), A549 (lung), SiHa (cervix), and Colo-205 (colon). Most of the γ-Carboline derivatives showed potent inhibitory activity in four cancer cell lines, according to in vitro anticancer activity screening. Two compounds, specifically LP-14 and LP-15 , showed superior activity in cancer cell lines among the γ-Carboline derivatives from LP-1 to LP-16 . Additionally, the compound LP-14 , LP-15 and Etoposide carried out molecular docking studies on human topoisomerase II beta in complex with DNA and Etoposide (PDB ID: 3QX3). The docking studies' results showed that the derivative LP-15 was strongly bound with the receptor amino acid residues, including Glu477 and DC8 compared with the marked drug Etoposide.
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معلومات مُعتمدة: NII core Department of biotechnology
فهرسة مساهمة: Keywords: Latrepirdine (Dimebon); anticancer activity; cancer cell line; molecular docking; structure-activity relationship; γ-Carboline
المشرفين على المادة: OD9237K1Z6 (latrepirdine)
244-69-9 (gamma-carboline)
6PLQ3CP4P3 (Etoposide)
0 (Antineoplastic Agents)
تواريخ الأحداث: Date Created: 20230714 Date Completed: 20230717 Latest Revision: 20230718
رمز التحديث: 20231215
مُعرف محوري في PubMed: PMC10343707
DOI: 10.3390/molecules28134965
PMID: 37446626
قاعدة البيانات: MEDLINE
الوصف
تدمد:1420-3049
DOI:10.3390/molecules28134965