title: Synthesis, and QSAR analysis of anti-oncological active spiro-alkaloids.
abstract: QSAR study describes the anti-neoplastic spiro-alkaloids with relevant molecular descriptors using CODESSA III software. The dispiro[3H-indole-3,2'-pyrrolidine-3',3"-piperidines] 24-48 were synthesized via [3 + 2]-cycloaddition reaction of azomethine ylides, (generated in situ via decarboxylative condensation of isatins 21-23 with sarcosine) and 3E,5E-1-alkyl-3,5-bis(arylmethylidene)-4-piperidones 10-20. Some of the synthesized analogues exhibited promising antitumor properties against HELA (cervical), HEPG2 (liver), T-47D, MCF7 (breast), and HCT116 (colon) human tumor cell lines, demonstrating activity close to or even better than the standard Doxorubicin, based on in vitro Sulfo-Rhodamine-B bio-assay.
authors.affiliation: Pesticide Chemistry Department, National Research Centre, Dokki, Cairo 12622, Egypt.
authors.forename: Adel S
authors.initials: AS
authors.lastname: Girgis
authors.forename: Siva S
authors.initials: SS
authors.lastname: Panda
authors.forename: I S Ahmed
authors.initials: IS
authors.lastname: Farag
authors.forename: A M
authors.initials: AM
authors.lastname: El-Shabiny
authors.forename: A M
authors.initials: AM
authors.lastname: Moustafa
authors.forename: Nasser S M
authors.initials: NS
authors.lastname: Ismail
authors.forename: Girinath G
authors.initials: GG
authors.lastname: Pillai
authors.forename: Chandramukhi S
authors.initials: CS
authors.lastname: Panda
authors.forename: C Dennis
authors.initials: CD
authors.lastname: Hall
authors.forename: Alan R
authors.initials: AR
authors.lastname: Katritzky
mesh_terms: D000470:Alkaloids / Q000737:chemistry / Q000494:pharmacology*; D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D045744:Cell Line, Tumor; D049109:Cell Proliferation / Q000187:drug effects; D004305:Dose-Response Relationship, Drug; D004354:Drug Screening Assays, Antitumor; D006801:Humans; D008958:Models, Molecular; D015394:Molecular Structure; D021281:Quantitative Structure-Activity Relationship; D012984:Software; D013141:Spiro Compounds / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D000470:Alkaloids; D000970:Antineoplastic Agents; D013141:Spiro Compounds